N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide

C16H23N3O — CID 9059884

IUPACN-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
SMILESCC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H23N3O/c1-11(2)14-7-6-12(3)9-15(14)18-19-16(20)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3,(H,19,20)/b18-15-/t12-,14-/m0/s1
InChIKeyYASWBDCHUFYQGJ-IQBXMYBCSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds3

About N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide

N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide (PubChem CID 9059884) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
PubChem CID9059884
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
SMILESCC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H23N3O/c1-11(2)14-7-6-12(3)9-15(14)18-19-16(20)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3,(H,19,20)/b18-15-/t12-,14-/m0/s1
InChIKeyYASWBDCHUFYQGJ-IQBXMYBCSA-N
XLogP3.26
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
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'}

Analyze N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
2-cyano-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]acetamide
CID 7188891
N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465123
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-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide (CID 9059884) is N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide is CC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide?
The InChIKey is YASWBDCHUFYQGJ-IQBXMYBCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)14-7-6-12(3)9-15(14)18-19-16(20)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3,(H,19,20)/b18-15-/t12-,14-/m0/s1.
What are the key properties of N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 9059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).