C14H21N3O2 | Cheminformatics

2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide

Formula:C14H21N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide is a drug-like molecule.

MolName2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide
MolecularFormulaC14H21N3O2
SmilesCC(C)C(Nc(cc1)ncc1NC(C(C)(C)C)=O)=O
InChIInChI=1S/C14H21N3O2/c1-9(2)12(18)17-11-7-6-10(8-15-11)16-13(19)14(3,4)5/h6-9H,1-5H3,(H,16,19)(H,15,17,18)
InChIKVXLIADGXFJLVJA-UHFFFAOYSA-N
TotalMolweight263.34
Molweight263.34
MonoisotopicMass263.163377
CLogP2.3287
CLogS-3.067
H Acceptors5
H Donors2
TotalSurfaceArea214.65
Relative PSA0.27939
PolarSurfaceArea71.09
Druglikeness-3.1586
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms3
Amides2
Aromatic Nitrogens1
StereoCon

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