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

C17H15N3O4 — CID 135458495

IUPAC2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)nc3ccccn3c2=O)c1
InChIInChI=1S/C17H15N3O4/c1-24-12-6-4-5-11(9-12)10-18-15(21)14-16(22)19-13-7-2-3-8-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21)
InChIKeyAQYJYMFGERUGCN-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.34
Rot. Bonds4

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

2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458495) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458495
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)nc3ccccn3c2=O)c1
InChIInChI=1S/C17H15N3O4/c1-24-12-6-4-5-11(9-12)10-18-15(21)14-16(22)19-13-7-2-3-8-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21)
InChIKeyAQYJYMFGERUGCN-UHFFFAOYSA-N
XLogP1.34
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458495) is 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2c(O)nc3ccccn3c2=O)c1.
What is the InChIKey of 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AQYJYMFGERUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-12-6-4-5-11(9-12)10-18-15(21)14-16(22)19-13-7-2-3-8-20(13)17(14)23/h2-9,22H,10H2,1H3,(H,18,21).
What are the key properties of 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).