N-(2-methylcyclohexyl)pyridine-3-carboxamide

C13H18N2O — CID 11841361

IUPACN-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-10-5-2-3-7-12(10)15-13(16)11-6-4-8-14-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,15,16)
InChIKeySIJBEDJNWKDAJV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds2

About N-(2-methylcyclohexyl)pyridine-3-carboxamide

N-(2-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 11841361) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID11841361
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-10-5-2-3-7-12(10)15-13(16)11-6-4-8-14-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,15,16)
InChIKeySIJBEDJNWKDAJV-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

2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-cyclopentylpyridine-3-carboxamide
CID 805532
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-chloro-6-methylcyclohexyl)pyridine-3-carboxamide
CID 174596243
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)pyridine-3-carboxamide (CID 11841361) is N-(2-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)pyridine-3-carboxamide is CC1CCCCC1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is SIJBEDJNWKDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-5-2-3-7-12(10)15-13(16)11-6-4-8-14-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of N-(2-methylcyclohexyl)pyridine-3-carboxamide?
N-(2-methylcyclohexyl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 11841361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).