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

C13H17N3O — CID 4124153

IUPACN-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
SMILESCC1CCC(=NNC(=O)c2cccnc2)CC1
InChIInChI=1S/C13H17N3O/c1-10-4-6-12(7-5-10)15-16-13(17)11-3-2-8-14-9-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)/b15-12-
InChIKeyFRQIFXHMSITLSP-QINSGFPZSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds2

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

N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide (PubChem CID 4124153) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
PubChem CID4124153
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
SMILESCC1CCC(=NNC(=O)c2cccnc2)CC1
InChIInChI=1S/C13H17N3O/c1-10-4-6-12(7-5-10)15-16-13(17)11-3-2-8-14-9-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)/b15-12-
InChIKeyFRQIFXHMSITLSP-QINSGFPZSA-N
XLogP2.38
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
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

N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
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-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
CID 9059884
N-[(E)-[3-methyl-2-(4-methylpiperidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158414
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide (CID 4124153) is N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide is CC1CCC(=NNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide?
The InChIKey is FRQIFXHMSITLSP-QINSGFPZSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-6-12(7-5-10)15-16-13(17)11-3-2-8-14-9-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)/b15-12-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide?
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide is sourced from PubChem (CID 4124153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).