2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

C18H20N2O — CID 110373433

IUPAC2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(C(=O)N2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(16-6-2-3-11-19-16)18(21)20-12-4-5-13-20/h2-3,6-11,17H,4-5,12-13H2,1H3
InChIKeyWHEZEMWDXWAEMC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (PubChem CID 110373433) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
PubChem CID110373433
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(C(=O)N2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(16-6-2-3-11-19-16)18(21)20-12-4-5-13-20/h2-3,6-11,17H,4-5,12-13H2,1H3
InChIKeyWHEZEMWDXWAEMC-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
CID 110373346
2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 110373554
2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110373483
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
CID 110373502
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373448
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (CID 110373433) is 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is Cc1ccc(C(C(=O)N2CCCC2)c2ccccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is WHEZEMWDXWAEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(16-6-2-3-11-19-16)18(21)20-12-4-5-13-20/h2-3,6-11,17H,4-5,12-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 280.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110373433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).