5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide

C22H23N3O3 — CID 58808756

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
SMILESCCc1cc(-c2cncc(C(=O)NCC(O)c3ccccc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H23N3O3/c1-3-15-10-19(14(2)25-22(15)28)17-9-18(12-23-11-17)21(27)24-13-20(26)16-7-5-4-6-8-16/h4-12,20,26H,3,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZSXMZOFXINKKIX-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.77
Rot. Bonds6

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide (PubChem CID 58808756) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
PubChem CID58808756
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
SMILESCCc1cc(-c2cncc(C(=O)NCC(O)c3ccccc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H23N3O3/c1-3-15-10-19(14(2)25-22(15)28)17-9-18(12-23-11-17)21(27)24-13-20(26)16-7-5-4-6-8-16/h4-12,20,26H,3,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZSXMZOFXINKKIX-UHFFFAOYSA-N
XLogP2.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808769
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 58808771
N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808518
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
5-(2-ethylphenyl)pyridine-3-carboxylic acid
CID 56715011
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
6-methyl-N-(2-methylpropyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 100639839

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide (CID 58808756) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide is CCc1cc(-c2cncc(C(=O)NCC(O)c3ccccc3)c2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is ZSXMZOFXINKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-15-10-19(14(2)25-22(15)28)17-9-18(12-23-11-17)21(27)24-13-20(26)16-7-5-4-6-8-16/h4-12,20,26H,3,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58808756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).