1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C14H13N3O4 — CID 43355716

IUPAC1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)
InChIKeyDIIUSAOXEIDRJG-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.38
Rot. Bonds2

About 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43355716) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43355716
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)
InChIKeyDIIUSAOXEIDRJG-UHFFFAOYSA-N
XLogP0.38
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43355716) is 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DIIUSAOXEIDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12(16-7-3-4-10(16)14(20)21)9-8-15-11-5-1-2-6-17(11)13(9)19/h1-2,5-6,8,10H,3-4,7H2,(H,20,21).
What are the key properties of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).