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C21H21N5O3 | Cheminformatics
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N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide

Molecular Formula : C21H21N5O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.

MolName : N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide

MolecularFormula : C21H21N5O3

Smiles : O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cnccc2)=O)c1)N1CCOCC1

InChI : InChI=1S/C21H21N5O3/c27-20(25-8-10-29-11-9-25)15-26-14-17(18-5-1-2-6-19(18)26)13-23-24-21(28)16-4-3-7-22-12-16/h1-7,12-14H,8-11,15H2,(H,24,28)

InChIK : PPFCKHUQCSFYGN-UHFFFAOYSA-N

TotalMolweight : 391.43

Molweight : 391.43

MonoisotopicMass : 391.16444

CLogP : 1.5418

CLogS : -2.291

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 302.9

Relative PSA : 0.26557

PolarSurfaceArea : 88.82

Druglikeness : 6.247

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

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1 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
2 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
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