2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid

C15H19N3O3 — CID 43631462

IUPAC2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2cccc(C)c2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-5-12(15(20)21)16-9-11-8-13(19)18-7-4-6-10(2)14(18)17-11/h4,6-8,12,16H,3,5,9H2,1-2H3,(H,20,21)
InChIKeySNTXERLEIHGIGB-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds6

About 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid

2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (PubChem CID 43631462) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
PubChem CID43631462
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2cccc(C)c2n1)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-5-12(15(20)21)16-9-11-8-13(19)18-7-4-6-10(2)14(18)17-11/h4,6-8,12,16H,3,5,9H2,1-2H3,(H,20,21)
InChIKeySNTXERLEIHGIGB-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (CID 43631462) is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid is CCCC(NCc1cc(=O)n2cccc(C)c2n1)C(=O)O.
What is the InChIKey of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The InChIKey is SNTXERLEIHGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-5-12(15(20)21)16-9-11-8-13(19)18-7-4-6-10(2)14(18)17-11/h4,6-8,12,16H,3,5,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
2-[(9-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-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).