5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide

C15H19N3O — CID 103753315

IUPAC5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(C#N)cn2)CCCCC1
InChIInChI=1S/C15H19N3O/c1-15(7-3-2-4-8-15)11-18-14(19)13-6-5-12(9-16)10-17-13/h5-6,10H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyNTXYDQRBXRWLTL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds3

About 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide

5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 103753315) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID103753315
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(C#N)cn2)CCCCC1
InChIInChI=1S/C15H19N3O/c1-15(7-3-2-4-8-15)11-18-14(19)13-6-5-12(9-16)10-17-13/h5-6,10H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyNTXYDQRBXRWLTL-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103762122
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
5-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 104641394
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide (CID 103753315) is 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide is CC1(CNC(=O)c2ccc(C#N)cn2)CCCCC1.
What is the InChIKey of 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is NTXYDQRBXRWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(7-3-2-4-8-15)11-18-14(19)13-6-5-12(9-16)10-17-13/h5-6,10H,2-4,7-8,11H2,1H3,(H,18,19).
What are the key properties of 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103753315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).