(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C17H18N2O — CID 110871555

IUPAC(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H18N2O/c1-13-6-2-3-8-15(13)17(20)19-11-5-9-16(19)14-7-4-10-18-12-14/h2-4,6-8,10,12,16H,5,9,11H2,1H3
InChIKeyCHTXTZZDGHXWKV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.37
Rot. Bonds2

About (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 110871555) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID110871555
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H18N2O/c1-13-6-2-3-8-15(13)17(20)19-11-5-9-16(19)14-7-4-10-18-12-14/h2-4,6-8,10,12,16H,5,9,11H2,1H3
InChIKeyCHTXTZZDGHXWKV-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
CID 163002430
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 131934792

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 110871555) is (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCCC1c1cccnc1.
What is the InChIKey of (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is CHTXTZZDGHXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-6-2-3-8-15(13)17(20)19-11-5-9-16(19)14-7-4-10-18-12-14/h2-4,6-8,10,12,16H,5,9,11H2,1H3.
What are the key properties of (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110871555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).