N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide

C11H14ClN3O — CID 79388659

IUPACN-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H14ClN3O/c1-7-8(4-6-13-7)11(16)15-9-3-2-5-14-10(9)12/h2-3,5,7-8,13H,4,6H2,1H3,(H,15,16)
InChIKeyBJWFDRWFJGXZBY-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.67
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide

N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388659) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388659
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H14ClN3O/c1-7-8(4-6-13-7)11(16)15-9-3-2-5-14-10(9)12/h2-3,5,7-8,13H,4,6H2,1H3,(H,15,16)
InChIKeyBJWFDRWFJGXZBY-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-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

Related Compounds

N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
(1S,6R)-6-[(2-chloro-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93174037
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79378143
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 114050445
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide (CID 79388659) is N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is BJWFDRWFJGXZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7-8(4-6-13-7)11(16)15-9-3-2-5-14-10(9)12/h2-3,5,7-8,13H,4,6H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).