4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide

C14H20N2O2 — CID 115151182

IUPAC4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(CO)CC1)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-16(13-3-2-8-15-9-13)14(18)12-6-4-11(10-17)5-7-12/h2-3,8-9,11-12,17H,4-7,10H2,1H3
InChIKeyWCMHRZDWGMKNRX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.84
Rot. Bonds3

About 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide

4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 115151182) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID115151182
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(CO)CC1)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-16(13-3-2-8-15-9-13)14(18)12-6-4-11(10-17)5-7-12/h2-3,8-9,11-12,17H,4-7,10H2,1H3
InChIKeyWCMHRZDWGMKNRX-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 124609562
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 126766987
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
N-(4-bromothiophen-2-yl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151175

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 115151182) is 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide is CN(C(=O)C1CCC(CO)CC1)c1cccnc1.
What is the InChIKey of 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is WCMHRZDWGMKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(13-3-2-8-15-9-13)14(18)12-6-4-11(10-17)5-7-12/h2-3,8-9,11-12,17H,4-7,10H2,1H3.
What are the key properties of 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).