N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C17H18N4OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H18N4OCl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C17H18Cl2N4O/c18-7-10-23(11-8-19)16-5-3-14(4-6-16)12-21-22-17(24)15-2-1-9-20-13-15/h1-6,9,12-13H,7-8,10-11H2,(H,22,24) |
| InChIK | COVXLRKMGDYPCL-UHFFFAOYSA-N |
| TotalMolweight | 365.263 |
| Molweight | 365.263 |
| MonoisotopicMass | 364.085765 |
| CLogP | 3.3683 |
| CLogS | -4.364 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.93 |
| Relative PSA | 0.17923 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 7.3664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off