[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride

C12H19Cl2N3O — CID 119413830

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C)nc2)C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-3-4-10(7-14-9)12(16)15-6-5-11(8-15)13-2;;/h3-4,7,11,13H,5-6,8H2,1-2H3;2*1H
InChIKeyGLKZBQKLKOQBHG-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.67
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride

[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119413830) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119413830
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C)nc2)C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-3-4-10(7-14-9)12(16)15-6-5-11(8-15)13-2;;/h3-4,7,11,13H,5-6,8H2,1-2H3;2*1H
InChIKeyGLKZBQKLKOQBHG-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
CID 154456800
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 72979848
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride (CID 119413830) is [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride is CNC1CCN(C(=O)c2ccc(C)nc2)C1.Cl.Cl.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is GLKZBQKLKOQBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-9-3-4-10(7-14-9)12(16)15-6-5-11(8-15)13-2;;/h3-4,7,11,13H,5-6,8H2,1-2H3;2*1H.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride?
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119413830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).