2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid

C15H19N3O3 — CID 43631892

IUPAC2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2cc(C)ccc2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-4-12(15(20)21)16-8-11-7-14(19)18-9-10(2)5-6-13(18)17-11/h5-7,9,12,16H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyKPXCLGHKIWDFTP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds6

About 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid

2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (PubChem CID 43631892) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
PubChem CID43631892
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2cc(C)ccc2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-4-12(15(20)21)16-8-11-7-14(19)18-9-10(2)5-6-13(18)17-11/h5-7,9,12,16H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyKPXCLGHKIWDFTP-UHFFFAOYSA-N
XLogP1.35
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (CID 43631892) is 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid is CCCC(NCc1cc(=O)n2cc(C)ccc2n1)C(=O)O.
What is the InChIKey of 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The InChIKey is KPXCLGHKIWDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-12(15(20)21)16-8-11-7-14(19)18-9-10(2)5-6-13(18)17-11/h5-7,9,12,16H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).