N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N3O2 — CID 20878666

IUPACN-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-6-14-8-10-15(11-9-14)21-18(23)16-13-20-17-7-4-5-12-22(17)19(16)24/h4-5,7-13H,2-3,6H2,1H3,(H,21,23)
InChIKeyUIFRGWSYVBIFSD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds5

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

N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878666) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878666
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-6-14-8-10-15(11-9-14)21-18(23)16-13-20-17-7-4-5-12-22(17)19(16)24/h4-5,7-13H,2-3,6H2,1H3,(H,21,23)
InChIKeyUIFRGWSYVBIFSD-UHFFFAOYSA-N
XLogP3.29
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878666) is N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UIFRGWSYVBIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-6-14-8-10-15(11-9-14)21-18(23)16-13-20-17-7-4-5-12-22(17)19(16)24/h4-5,7-13H,2-3,6H2,1H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).