2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C16H14N4O3 — CID 136790846

IUPAC2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2nc(O)c(C(=O)NCc3cccnc3)c(=O)n2c1
InChIInChI=1S/C16H14N4O3/c1-10-4-5-12-19-15(22)13(16(23)20(12)9-10)14(21)18-8-11-3-2-6-17-7-11/h2-7,9,22H,8H2,1H3,(H,18,21)
InChIKeyFZWWGSGSBVWWFR-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.03
Rot. Bonds3

About 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136790846) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136790846
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2nc(O)c(C(=O)NCc3cccnc3)c(=O)n2c1
InChIInChI=1S/C16H14N4O3/c1-10-4-5-12-19-15(22)13(16(23)20(12)9-10)14(21)18-8-11-3-2-6-17-7-11/h2-7,9,22H,8H2,1H3,(H,18,21)
InChIKeyFZWWGSGSBVWWFR-UHFFFAOYSA-N
XLogP1.03
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790825
7-hydroxy-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853317
2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704180
7-hexyl-6-imino-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3372116
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790874
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 136790846) is 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2nc(O)c(C(=O)NCc3cccnc3)c(=O)n2c1.
What is the InChIKey of 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FZWWGSGSBVWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-4-5-12-19-15(22)13(16(23)20(12)9-10)14(21)18-8-11-3-2-6-17-7-11/h2-7,9,22H,8H2,1H3,(H,18,21).
What are the key properties of 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136790846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).