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

C19H22N2O — CID 130315755

IUPAC(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Cc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C19H22N2O/c1-14-3-6-17(7-4-14)19(22)21-10-9-16(13-21)11-18-8-5-15(2)12-20-18/h3-8,12,16H,9-11,13H2,1-2H3
InChIKeyDMZBFHXSOZKJNL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.40
Rot. Bonds3

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

(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 130315755) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID130315755
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(Cc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C19H22N2O/c1-14-3-6-17(7-4-14)19(22)21-10-9-16(13-21)11-18-8-5-15(2)12-20-18/h3-8,12,16H,9-11,13H2,1-2H3
InChIKeyDMZBFHXSOZKJNL-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 10500522
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
[(6S)-6-[(5-methyl-2-pyridinyl)methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124979488
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
[3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
(4-aminophenyl)-[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 159950056
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124991268

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone (CID 130315755) is (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(Cc3ccc(C)cn3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DMZBFHXSOZKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-3-6-17(7-4-14)19(22)21-10-9-16(13-21)11-18-8-5-15(2)12-20-18/h3-8,12,16H,9-11,13H2,1-2H3.
What are the key properties of (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone?
(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 130315755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).