1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide

C9H11ClN4O — CID 54592642

IUPAC1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(Cl)ncn1
InChIInChI=1S/C9H11ClN4O/c10-7-4-8(13-5-12-7)14-3-1-2-6(14)9(11)15/h4-6H,1-3H2,(H2,11,15)
InChIKeyASJVRTCVLOIIOQ-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.58
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 54592642) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID54592642
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(Cl)ncn1
InChIInChI=1S/C9H11ClN4O/c10-7-4-8(13-5-12-7)14-3-1-2-6(14)9(11)15/h4-6H,1-3H2,(H2,11,15)
InChIKeyASJVRTCVLOIIOQ-UHFFFAOYSA-N
XLogP0.58
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-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-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 54592642) is 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is ASJVRTCVLOIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-7-4-8(13-5-12-7)14-3-1-2-6(14)9(11)15/h4-6H,1-3H2,(H2,11,15).
What are the key properties of 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 226.67 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54592642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).