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

C24H19FN4O4 — CID 54730637

IUPAC9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1
InChIInChI=1S/C24H19FN4O4/c25-18-10-8-15(9-11-18)13-26-23(32)19-20(30)24(33)29-12-4-7-17(21(29)28-19)14-27-22(31)16-5-2-1-3-6-16/h1-12,30H,13-14H2,(H,26,32)(H,27,31)
InChIKeyWWPKBJCPIBCDLA-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.40
Rot. Bonds6

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

9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730637) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730637
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1
InChIInChI=1S/C24H19FN4O4/c25-18-10-8-15(9-11-18)13-26-23(32)19-20(30)24(33)29-12-4-7-17(21(29)28-19)14-27-22(31)16-5-2-1-3-6-16/h1-12,30H,13-14H2,(H,26,32)(H,27,31)
InChIKeyWWPKBJCPIBCDLA-UHFFFAOYSA-N
XLogP2.40
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730637) is 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1.
What is the InChIKey of 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is WWPKBJCPIBCDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-18-10-8-15(9-11-18)13-26-23(32)19-20(30)24(33)29-12-4-7-17(21(29)28-19)14-27-22(31)16-5-2-1-3-6-16/h1-12,30H,13-14H2,(H,26,32)(H,27,31).
What are the key properties of 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).