[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C20H25N3O — CID 102540166

IUPAC[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCC(C)CNc1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H25N3O/c1-15(2)13-21-19-11-10-17(14-22-19)18-9-6-12-23(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,18H,6,9,12-13H2,1-2H3,(H,21,22)
InChIKeyYAGXAJMZIPVWFF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds5

About [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 102540166) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID102540166
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCC(C)CNc1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H25N3O/c1-15(2)13-21-19-11-10-17(14-22-19)18-9-6-12-23(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,18H,6,9,12-13H2,1-2H3,(H,21,22)
InChIKeyYAGXAJMZIPVWFF-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540161
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540287
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
CID 167491595
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
5-(1-ethylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540510

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 102540166) is [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is CC(C)CNc1ccc(C2CCCN2C(=O)c2ccccc2)cn1.
What is the InChIKey of [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is YAGXAJMZIPVWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)13-21-19-11-10-17(14-22-19)18-9-6-12-23(18)20(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15,18H,6,9,12-13H2,1-2H3,(H,21,22).
What are the key properties of [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 323.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102540166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).