2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride

C10H16Cl2N2O — CID 155973448

IUPAC2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
SMILESCNC(C)C(=O)c1ccc(C)cn1.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-7-4-5-9(12-6-7)10(13)8(2)11-3;;/h4-6,8,11H,1-3H3;2*1H
InChIKeyROBXIRVUXWWBHF-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.02
Rot. Bonds3

About 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride

2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride (PubChem CID 155973448) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
PubChem CID155973448
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
SMILESCNC(C)C(=O)c1ccc(C)cn1.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-7-4-5-9(12-6-7)10(13)8(2)11-3;;/h4-6,8,11H,1-3H3;2*1H
InChIKeyROBXIRVUXWWBHF-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;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

1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
ethane;5-methyl-N-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 171564740
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-methyl-2-[(5-methyl-2-pyridinyl)amino]propanamide
CID 61467777
(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
CID 103093164
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
N,5-dimethyl-N-[4-(methylamino)butan-2-yl]pyridine-2-carboxamide
CID 143233459
2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 161484729
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride?
The IUPAC name of 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride (CID 155973448) is 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride?
The canonical SMILES for 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride is CNC(C)C(=O)c1ccc(C)cn1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride?
The InChIKey is ROBXIRVUXWWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c1-7-4-5-9(12-6-7)10(13)8(2)11-3;;/h4-6,8,11H,1-3H3;2*1H.
What are the key properties of 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride?
2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride is sourced from PubChem (CID 155973448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).