(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

C17H19N3O — CID 97005726

IUPAC(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O/c1-13-4-6-14(7-5-13)16-3-2-12-20(16)17(21)19-15-8-10-18-11-9-15/h4-11,16H,2-3,12H2,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyCQYIOZWRZPEBPW-INIZCTEOSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds2

About (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 97005726) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID97005726
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O/c1-13-4-6-14(7-5-13)16-3-2-12-20(16)17(21)19-15-8-10-18-11-9-15/h4-11,16H,2-3,12H2,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyCQYIOZWRZPEBPW-INIZCTEOSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-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 (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 97005726) is (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is CQYIOZWRZPEBPW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-4-6-14(7-5-13)16-3-2-12-20(16)17(21)19-15-8-10-18-11-9-15/h4-11,16H,2-3,12H2,1H3,(H,18,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
(2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97005726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).