N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide

C20H24N2O2 — CID 163305949

IUPACN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C20H24N2O2/c1-14-19(18(10-11-21-14)16-7-3-2-4-8-16)20(24)22-17-9-5-6-15(12-17)13-23/h2-4,7-8,10-11,15,17,23H,5-6,9,12-13H2,1H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyGRZROJXEPZDIEJ-NVXWUHKLSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds4

About N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide (PubChem CID 163305949) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
PubChem CID163305949
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C20H24N2O2/c1-14-19(18(10-11-21-14)16-7-3-2-4-8-16)20(24)22-17-9-5-6-15(12-17)13-23/h2-4,7-8,10-11,15,17,23H,5-6,9,12-13H2,1H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyGRZROJXEPZDIEJ-NVXWUHKLSA-N
XLogP3.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
CID 133265545
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 154564374
2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 112752696
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 95718959
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
CID 138035484
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 56918819
[(1S,3R)-3-benzamidocyclohexyl]methyl-methylborinic acid
CID 167658164
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide (CID 163305949) is N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide is Cc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](CO)C1.
What is the InChIKey of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The InChIKey is GRZROJXEPZDIEJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-19(18(10-11-21-14)16-7-3-2-4-8-16)20(24)22-17-9-5-6-15(12-17)13-23/h2-4,7-8,10-11,15,17,23H,5-6,9,12-13H2,1H3,(H,22,24)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide?
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 163305949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).