5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C18H16N4O3 — CID 136593223

IUPAC5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C18H16N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h2-11,23H,1H3,(H,20,24)(H,21,22,25)
InChIKeyRSZBXIGWSNMGGG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.03
Rot. Bonds4

About 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 136593223) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID136593223
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C18H16N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h2-11,23H,1H3,(H,20,24)(H,21,22,25)
InChIKeyRSZBXIGWSNMGGG-UHFFFAOYSA-N
XLogP2.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 137037001
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601853
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306
5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
CID 137296976
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 162060757
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91287100

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 136593223) is 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is CC(NC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O)c1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is RSZBXIGWSNMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11(12-7-3-2-4-8-12)20-17(24)14-15(23)18(25)22-16(21-14)13-9-5-6-10-19-13/h2-11,23H,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136593223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).