N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide

C17H26N2O2 — CID 124844251

IUPACN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](CO)CC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-13-7-8-16(11-18-13)17(21)19-10-15(12-20)9-14-5-3-2-4-6-14/h7-8,11,14-15,20H,2-6,9-10,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyFXGBYGYYLIQVSI-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds6

About N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide

N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide (PubChem CID 124844251) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
PubChem CID124844251
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](CO)CC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-13-7-8-16(11-18-13)17(21)19-10-15(12-20)9-14-5-3-2-4-6-14/h7-8,11,14-15,20H,2-6,9-10,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyFXGBYGYYLIQVSI-HNNXBMFYSA-N
XLogP2.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
CID 124743745
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 124847238
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 114317633
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide (CID 124844251) is N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@@H](CO)CC2CCCCC2)cn1.
What is the InChIKey of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FXGBYGYYLIQVSI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-8-16(11-18-13)17(21)19-10-15(12-20)9-14-5-3-2-4-6-14/h7-8,11,14-15,20H,2-6,9-10,12H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 124844251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).