N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide

C18H20N2O2 — CID 136565531

IUPACN-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide
SMILESO=C(NC(CO)C1CCC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C18H20N2O2/c21-12-17(14-7-4-8-14)20-18(22)16-11-15(9-10-19-16)13-5-2-1-3-6-13/h1-3,5-6,9-11,14,17,21H,4,7-8,12H2,(H,20,22)
InChIKeyOHKLWVCFSNLQHB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds5

About N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide

N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide (PubChem CID 136565531) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide
PubChem CID136565531
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide
SMILESO=C(NC(CO)C1CCC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C18H20N2O2/c21-12-17(14-7-4-8-14)20-18(22)16-11-15(9-10-19-16)13-5-2-1-3-6-13/h1-3,5-6,9-11,14,17,21H,4,7-8,12H2,(H,20,22)
InChIKeyOHKLWVCFSNLQHB-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide
CID 58685747
N-(1-cyclohexylpropyl)-4-hydrazinylpyridine-2-carboxamide
CID 62407089
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide
CID 87562640
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide (CID 136565531) is N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide is O=C(NC(CO)C1CCC1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide?
The InChIKey is OHKLWVCFSNLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-12-17(14-7-4-8-14)20-18(22)16-11-15(9-10-19-16)13-5-2-1-3-6-13/h1-3,5-6,9-11,14,17,21H,4,7-8,12H2,(H,20,22).
What are the key properties of N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide?
N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide is sourced from PubChem (CID 136565531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).