2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O3 — CID 135458491

IUPAC2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c(O)nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-11-5-7-12(8-6-11)10-18-15(21)14-16(22)19-13-4-2-3-9-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21)
InChIKeyIXURUOIBUUGCFG-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.64
Rot. Bonds3

About 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458491) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458491
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c(O)nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-11-5-7-12(8-6-11)10-18-15(21)14-16(22)19-13-4-2-3-9-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21)
InChIKeyIXURUOIBUUGCFG-UHFFFAOYSA-N
XLogP1.64
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 704582
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502
9-Methyl-4-oxo-2-((phenylmethyl)amino)-4H-pyrido(1,2-a)pyrimidine-3-carboxaldehyde
CID 910902
N-Benzyl-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1050210
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
CID 661014
7-benzyl-N-butyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 663961
4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid phenethyl-amide
CID 750142
2-(Benzylamino)pyrido[1,2-a]pyrimidin-4-one
CID 2314144
N-cyclohexyl-6-imino-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3817300
7-benzyl-N-butyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4389996

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458491) is 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc(CNC(=O)c2c(O)nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IXURUOIBUUGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-5-7-12(8-6-11)10-18-15(21)14-16(22)19-13-4-2-3-9-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21).
What are the key properties of 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).