(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone

C17H18N2O — CID 110868752

IUPAC(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)CC1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-11-19(17(20)15-8-5-9-18-10-15)12-16(13)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3
InChIKeyNFJLNOWZOUAUJD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds2

About (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone

(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 110868752) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
PubChem CID110868752
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)CC1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13-11-19(17(20)15-8-5-9-18-10-15)12-16(13)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3
InChIKeyNFJLNOWZOUAUJD-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380
(3R,4S)-4-(4-fluorophenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668666
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
CID 110711424
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone (CID 110868752) is (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone is CC1CN(C(=O)c2cccnc2)CC1c1ccccc1.
What is the InChIKey of (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is NFJLNOWZOUAUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-11-19(17(20)15-8-5-9-18-10-15)12-16(13)14-6-3-2-4-7-14/h2-10,13,16H,11-12H2,1H3.
What are the key properties of (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone?
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110868752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).