N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide

C14H20N2O2 — CID 80707237

IUPACN-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1ccncc1O
InChIInChI=1S/C14H20N2O2/c1-16(10-11-5-3-2-4-6-11)14(18)12-7-8-15-9-13(12)17/h7-9,11,17H,2-6,10H2,1H3
InChIKeyMSWVVRCGXLNHGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds3

About N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide

N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide (PubChem CID 80707237) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
PubChem CID80707237
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1ccncc1O
InChIInChI=1S/C14H20N2O2/c1-16(10-11-5-3-2-4-6-11)14(18)12-7-8-15-9-13(12)17/h7-9,11,17H,2-6,10H2,1H3
InChIKeyMSWVVRCGXLNHGM-UHFFFAOYSA-N
XLogP2.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238812
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide (CID 80707237) is N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide is CN(CC1CCCCC1)C(=O)c1ccncc1O.
What is the InChIKey of N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide?
The InChIKey is MSWVVRCGXLNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-11-5-3-2-4-6-11)14(18)12-7-8-15-9-13(12)17/h7-9,11,17H,2-6,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide?
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 80707237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).