(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

C18H20N2O — CID 121451699

IUPAC(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2Cc2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-6-17(20)13-16-5-2-3-11-19-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3
InChIKeyAPJAXYFBOJZHCE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.24
Rot. Bonds3

About (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 121451699) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID121451699
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2Cc2ccccn2)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-6-17(20)13-16-5-2-3-11-19-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3
InChIKeyAPJAXYFBOJZHCE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
(4-tert-butylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121450378
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124698524
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932008
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 121451699) is (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC2Cc2ccccn2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is APJAXYFBOJZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)18(21)20-12-4-6-17(20)13-16-5-2-3-11-19-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3.
What are the key properties of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121451699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).