(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C13H17ClN2O — CID 83135395

IUPAC(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeySFGDBIZRWUDRQN-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.14
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83135395) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83135395
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeySFGDBIZRWUDRQN-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-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

(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 106551631
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 83222002
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
CID 97256072
(2-ethyl-5-methylpyrrolidin-1-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 83222083
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]methanone
CID 83220481
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)furan-2-carboxylic acid
CID 83220072

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83135395) is (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is SFGDBIZRWUDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83135395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).