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

C15H17N3O3 — CID 43442012

IUPAC1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccn2c(=O)cc(CN3CCCC3C(=O)O)nc12
InChIInChI=1S/C15H17N3O3/c1-10-4-2-7-18-13(19)8-11(16-14(10)18)9-17-6-3-5-12(17)15(20)21/h2,4,7-8,12H,3,5-6,9H2,1H3,(H,20,21)
InChIKeyQHLKOGVAEVNWTM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds3

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

1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442012) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442012
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccn2c(=O)cc(CN3CCCC3C(=O)O)nc12
InChIInChI=1S/C15H17N3O3/c1-10-4-2-7-18-13(19)8-11(16-14(10)18)9-17-6-3-5-12(17)15(20)21/h2,4,7-8,12H,3,5-6,9H2,1H3,(H,20,21)
InChIKeyQHLKOGVAEVNWTM-UHFFFAOYSA-N
XLogP1.05
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43442012) is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1cccn2c(=O)cc(CN3CCCC3C(=O)O)nc12.
What is the InChIKey of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QHLKOGVAEVNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-2-7-18-13(19)8-11(16-14(10)18)9-17-6-3-5-12(17)15(20)21/h2,4,7-8,12H,3,5-6,9H2,1H3,(H,20,21).
What are the key properties of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).