N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide

C16H21N3O — CID 9059815

IUPACN-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C1/CC[C@H]2CCCC[C@H]2C1)c1cccnc1
InChIInChI=1S/C16H21N3O/c20-16(14-6-3-9-17-11-14)19-18-15-8-7-12-4-1-2-5-13(12)10-15/h3,6,9,11-13H,1-2,4-5,7-8,10H2,(H,19,20)/b18-15-/t12-,13+/m1/s1
InChIKeyWJJOHZCHIYTYED-QLTQQZPISA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds2

About N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide

N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide (PubChem CID 9059815) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
PubChem CID9059815
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C1/CC[C@H]2CCCC[C@H]2C1)c1cccnc1
InChIInChI=1S/C16H21N3O/c20-16(14-6-3-9-17-11-14)19-18-15-8-7-12-4-1-2-5-13(12)10-15/h3,6,9,11-13H,1-2,4-5,7-8,10H2,(H,19,20)/b18-15-/t12-,13+/m1/s1
InChIKeyWJJOHZCHIYTYED-QLTQQZPISA-N
XLogP3.16
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
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)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]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

N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-fluorobenzamide
CID 9235678
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 9233201
N-[(Z)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-propan-2-yloxybenzamide
CID 9215377
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridin-2-amine
CID 9121718
4-[(2E)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]hydrazinyl]benzoic acid
CID 9012915
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
CID 9059884
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462821

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide (CID 9059815) is N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide is O=C(N/N=C1/CC[C@H]2CCCC[C@H]2C1)c1cccnc1.
What is the InChIKey of N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide?
The InChIKey is WJJOHZCHIYTYED-QLTQQZPISA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(14-6-3-9-17-11-14)19-18-15-8-7-12-4-1-2-5-13(12)10-15/h3,6,9,11-13H,1-2,4-5,7-8,10H2,(H,19,20)/b18-15-/t12-,13+/m1/s1.
What are the key properties of N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 9059815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).