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

C16H17ClN4O — CID 124944335

IUPAC(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c17-13-5-2-1-4-12(13)11-21-9-3-6-16(21,15(18)22)14-10-19-7-8-20-14/h1-2,4-5,7-8,10H,3,6,9,11H2,(H2,18,22)/t16-/m0/s1
InChIKeyBIXMYVOVRWREOY-INIZCTEOSA-N
MW316.79 g/mol
LogP2.11
Rot. Bonds4

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

(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124944335) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124944335
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c17-13-5-2-1-4-12(13)11-21-9-3-6-16(21,15(18)22)14-10-19-7-8-20-14/h1-2,4-5,7-8,10H,3,6,9,11H2,(H2,18,22)/t16-/m0/s1
InChIKeyBIXMYVOVRWREOY-INIZCTEOSA-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 (2S)-1-[(2-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

Related Compounds

(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 102604390
(2R)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941438
(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941437
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 110098709
(2S)-1-[(2-phenoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
CID 124980582
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124970789
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124948573
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
CID 118740026

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124944335) is (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1Cl.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is BIXMYVOVRWREOY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-5-2-1-4-12(13)11-21-9-3-6-16(21,15(18)22)14-10-19-7-8-20-14/h1-2,4-5,7-8,10H,3,6,9,11H2,(H2,18,22)/t16-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2-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 (2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124944335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).