(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone

C17H18N2O — CID 110868702

IUPAC(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C17H18N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-8,10,12-13,16H,9,11H2,1H3
InChIKeyWWNGDQYCEMZRCK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.10
Rot. Bonds2

About (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone

(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 110868702) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
PubChem CID110868702
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C17H18N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-8,10,12-13,16H,9,11H2,1H3
InChIKeyWWNGDQYCEMZRCK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 119186871
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)-5-nitrobenzoic acid
CID 119186866
(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
CID 14749447
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone (CID 110868702) is (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone is CC1C(c2ccccc2)CCN1C(=O)c1cccnc1.
What is the InChIKey of (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is WWNGDQYCEMZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-16(14-6-3-2-4-7-14)9-11-19(13)17(20)15-8-5-10-18-12-15/h2-8,10,12-13,16H,9,11H2,1H3.
What are the key properties of (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110868702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).