N-(2-methylcyclohexyl)pyridine-4-carboxamide

C13H18N2O — CID 24819408

IUPACN-(2-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)15-13(16)11-6-8-14-9-7-11/h6-10,12H,2-5H2,1H3,(H,15,16)
InChIKeyMHOFJBIBOVGCAB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds2

About N-(2-methylcyclohexyl)pyridine-4-carboxamide

N-(2-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 24819408) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID24819408
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)15-13(16)11-6-8-14-9-7-11/h6-10,12H,2-5H2,1H3,(H,15,16)
InChIKeyMHOFJBIBOVGCAB-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
CID 7371003
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)pyridine-4-carboxamide (CID 24819408) is N-(2-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCCC1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is MHOFJBIBOVGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)15-13(16)11-6-8-14-9-7-11/h6-10,12H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-methylcyclohexyl)pyridine-4-carboxamide?
N-(2-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 24819408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).