N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide

C18H19N3O — CID 556058

IUPACN-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H19N3O/c22-18(16-7-4-12-19-13-16)21-20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,21,22)/b20-17-
InChIKeyDYWJBZYZVVSBQZ-JZJYNLBNSA-N
MW293.37 g/mol
LogP3.53
Rot. Bonds3

About N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide

N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide (PubChem CID 556058) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
PubChem CID556058
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H19N3O/c22-18(16-7-4-12-19-13-16)21-20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,21,22)/b20-17-
InChIKeyDYWJBZYZVVSBQZ-JZJYNLBNSA-N
XLogP3.53
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
CID 9059815
N'-(4-phenylcyclohexen-1-yl)pyridine-3-carbohydrazide
CID 3462848
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9461102
2-methyl-N-[(4-phenylcyclohexylidene)amino]pyrazole-3-carboxamide
CID 674622
5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
CID 4594839
1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
CID 17337814
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
CID 4969186
1-methyl-4-nitro-N-[(4-phenylcyclohexylidene)amino]pyrazole-5-carboxamide
CID 19576480

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide (CID 556058) is N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide is O=C(NN=C1CCC(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide?
The InChIKey is DYWJBZYZVVSBQZ-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(16-7-4-12-19-13-16)21-20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,21,22)/b20-17-.
What are the key properties of N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide?
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide is sourced from PubChem (CID 556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).