2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O4 — CID 135458500

IUPAC2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-11-4-3-9-21-15(11)20-17(23)14(18(21)24)16(22)19-10-12-5-7-13(25-2)8-6-12/h3-9,23H,10H2,1-2H3,(H,19,22)
InChIKeyWFTQTWKKMCBCIA-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.65
Rot. Bonds4

About 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458500) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458500
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-11-4-3-9-21-15(11)20-17(23)14(18(21)24)16(22)19-10-12-5-7-13(25-2)8-6-12/h3-9,23H,10H2,1-2H3,(H,19,22)
InChIKeyWFTQTWKKMCBCIA-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458500) is 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WFTQTWKKMCBCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-4-3-9-21-15(11)20-17(23)14(18(21)24)16(22)19-10-12-5-7-13(25-2)8-6-12/h3-9,23H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).