2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O3 — CID 135681057

IUPAC2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h1-8,11,22H,9-10H2,(H,18,21)
InChIKeyNUAMUHJTSPHQPR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.37
Rot. Bonds4

About 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681057) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681057
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H15N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h1-8,11,22H,9-10H2,(H,18,21)
InChIKeyNUAMUHJTSPHQPR-UHFFFAOYSA-N
XLogP1.37
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681058
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681052
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790825
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458507
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-(2-ethoxyphenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137279230
N-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 137316980
2-hydroxy-4-oxo-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136696100

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681057) is 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NUAMUHJTSPHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h1-8,11,22H,9-10H2,(H,18,21).
What are the key properties of 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).