1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

C16H19ClN4O2 — CID 91828828

IUPAC1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23)
InChIKeyKARVVGKXGVJFOY-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.31
Rot. Bonds4

About 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 91828828) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID91828828
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23)
InChIKeyKARVVGKXGVJFOY-UHFFFAOYSA-N
XLogP1.31
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide 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 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (CID 91828828) is 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1.
What is the InChIKey of 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is KARVVGKXGVJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23).
What are the key properties of 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91828828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).