[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone

C20H21ClN2O — CID 56666997

IUPAC[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H21ClN2O/c21-17-7-2-6-15(12-17)18-10-9-16(13-22-18)19-8-3-11-23(19)20(24)14-4-1-5-14/h2,6-7,9-10,12-14,19H,1,3-5,8,11H2
InChIKeyPQDMOMITSWRZAF-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.87
Rot. Bonds3

About [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone

[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 56666997) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID56666997
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H21ClN2O/c21-17-7-2-6-15(12-17)18-10-9-16(13-22-18)19-8-3-11-23(19)20(24)14-4-1-5-14/h2,6-7,9-10,12-14,19H,1,3-5,8,11H2
InChIKeyPQDMOMITSWRZAF-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone 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

CID 60680
CID 60680
CID 9950564
CID 9950564
CID 2726744
CID 2726744
CID 2822453
CID 2822453
CID 9954480
CID 9954480
CID 10137458
CID 10137458
CID 10366632
CID 10366632
CID 10718487
CID 10718487
CID 11515377
CID 11515377
CID 11602307
CID 11602307
CID 11716851
CID 11716851
CID 14554123
CID 14554123

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 56666997) is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is PQDMOMITSWRZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-7-2-6-15(12-17)18-10-9-16(13-22-18)19-8-3-11-23(19)20(24)14-4-1-5-14/h2,6-7,9-10,12-14,19H,1,3-5,8,11H2.
What are the key properties of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone?
[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 340.85 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 56666997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).