[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

C18H20N2O — CID 10446398

IUPAC[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cncc(C(=O)N3CCCC3C)c2)cc1
InChIInChI=1S/C18H20N2O/c1-13-5-7-15(8-6-13)16-10-17(12-19-11-16)18(21)20-9-3-4-14(20)2/h5-8,10-12,14H,3-4,9H2,1-2H3
InChIKeyAUMRRUNLKLNAIU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.68
Rot. Bonds2

About [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 10446398) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID10446398
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cncc(C(=O)N3CCCC3C)c2)cc1
InChIInChI=1S/C18H20N2O/c1-13-5-7-15(8-6-13)16-10-17(12-19-11-16)18(21)20-9-3-4-14(20)2/h5-8,10-12,14H,3-4,9H2,1-2H3
InChIKeyAUMRRUNLKLNAIU-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 24885402
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652315
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
[2-(1-aminoethyl)piperidin-1-yl]-[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methanone;dihydrochloride
CID 119437836
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (CID 10446398) is [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is Cc1ccc(-c2cncc(C(=O)N3CCCC3C)c2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is AUMRRUNLKLNAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-5-7-15(8-6-13)16-10-17(12-19-11-16)18(21)20-9-3-4-14(20)2/h5-8,10-12,14H,3-4,9H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 10446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).