(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone

C13H19N3O — CID 79181819

IUPAC(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CC(C)C(C)C2)n1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(9)2)13(17)11-5-4-6-12(14-3)15-11/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)
InChIKeyRLNPPXDZONGQHH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds2

About (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone

(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 79181819) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID79181819
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CC(C)C(C)C2)n1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(9)2)13(17)11-5-4-6-12(14-3)15-11/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)
InChIKeyRLNPPXDZONGQHH-UHFFFAOYSA-N
XLogP1.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 79180595
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 81199724
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 63767918
(6-hydrazinyl-2-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971064
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62239405
(3,4-dimethylpyrrolidin-1-yl)-[1-(methylamino)isoquinolin-3-yl]methanone
CID 79179421
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 107226312
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 55143086

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone (CID 79181819) is (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2CC(C)C(C)C2)n1.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is RLNPPXDZONGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-16(8-10(9)2)13(17)11-5-4-6-12(14-3)15-11/h4-6,9-10H,7-8H2,1-3H3,(H,14,15).
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone?
(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 79181819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).