[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone

C20H25N3O — CID 121451676

IUPAC[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2cc(N(C)C)cc(C)n2)cc1
InChIInChI=1S/C20H25N3O/c1-14-7-9-16(10-8-14)20(24)23-11-5-6-19(23)18-13-17(22(3)4)12-15(2)21-18/h7-10,12-13,19H,5-6,11H2,1-4H3
InChIKeyLWJXMSPIXFGOTH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds3

About [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone

[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 121451676) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID121451676
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2cc(N(C)C)cc(C)n2)cc1
InChIInChI=1S/C20H25N3O/c1-14-7-9-16(10-8-14)20(24)23-11-5-6-19(23)18-13-17(22(3)4)12-15(2)21-18/h7-10,12-13,19H,5-6,11H2,1-4H3
InChIKeyLWJXMSPIXFGOTH-UHFFFAOYSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166413666
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7405108
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 53039347
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
(4-ethylphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4302063
(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 125007396
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone (CID 121451676) is [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC2c2cc(N(C)C)cc(C)n2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is LWJXMSPIXFGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-7-9-16(10-8-14)20(24)23-11-5-6-19(23)18-13-17(22(3)4)12-15(2)21-18/h7-10,12-13,19H,5-6,11H2,1-4H3.
What are the key properties of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone?
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 121451676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).