N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H22N2O3 — CID 110012995

IUPACN-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCC(CC(C)O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-12-8-9-19-17(22)16(12)18(23)20-11-15(10-13(2)21)14-6-4-3-5-7-14/h3-9,13,15,21H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBOOMKYPZZDUXCM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.97
Rot. Bonds6

About N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110012995) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110012995
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCC(CC(C)O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-12-8-9-19-17(22)16(12)18(23)20-11-15(10-13(2)21)14-6-4-3-5-7-14/h3-9,13,15,21H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBOOMKYPZZDUXCM-UHFFFAOYSA-N
XLogP1.97
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
CID 110027851
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-1,2-oxazole-3-carboxamide
CID 97086628
N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110015228
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
CID 110004037
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
4-phenylheptane-2,6-diol
CID 173150769

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 110012995) is N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc[nH]c(=O)c1C(=O)NCC(CC(C)O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BOOMKYPZZDUXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-8-9-19-17(22)16(12)18(23)20-11-15(10-13(2)21)14-6-4-3-5-7-14/h3-9,13,15,21H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110012995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).