(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone

C12H15ClN2O — CID 60974569

IUPAC(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQDLXUMXKKPOQBA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.75
Rot. Bonds2

About (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone

(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 60974569) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID60974569
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQDLXUMXKKPOQBA-UHFFFAOYSA-N
XLogP2.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone 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

(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone (CID 60974569) is (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1ccnc(Cl)c1.
What is the InChIKey of (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is QDLXUMXKKPOQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-14-11(13)8-9/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone?
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 238.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60974569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).