(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H17ClN4O — CID 125011653

IUPAC(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22)/t16-/m1/s1
InChIKeyVRVGLDSCKBWJOC-MRXNPFEDSA-N
MW316.79 g/mol
LogP2.11
Rot. Bonds4

About (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 125011653) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID125011653
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22)/t16-/m1/s1
InChIKeyVRVGLDSCKBWJOC-MRXNPFEDSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-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 (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 125011653) is (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VRVGLDSCKBWJOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22)/t16-/m1/s1.
What are the key properties of (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 125011653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).