3-(methylamino)-4-pyridin-3-ylbutan-2-one

C10H14N2O — CID 22974289

IUPAC3-(methylamino)-4-pyridin-3-ylbutan-2-one
SMILESCNC(Cc1cccnc1)C(C)=O
InChIInChI=1S/C10H14N2O/c1-8(13)10(11-2)6-9-4-3-5-12-7-9/h3-5,7,10-11H,6H2,1-2H3
InChIKeyLSJGOUDDKNVYLW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.80
Rot. Bonds4

About 3-(methylamino)-4-pyridin-3-ylbutan-2-one

3-(methylamino)-4-pyridin-3-ylbutan-2-one (PubChem CID 22974289) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(methylamino)-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name3-(methylamino)-4-pyridin-3-ylbutan-2-one
PubChem CID22974289
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(methylamino)-4-pyridin-3-ylbutan-2-one
SMILESCNC(Cc1cccnc1)C(C)=O
InChIInChI=1S/C10H14N2O/c1-8(13)10(11-2)6-9-4-3-5-12-7-9/h3-5,7,10-11H,6H2,1-2H3
InChIKeyLSJGOUDDKNVYLW-UHFFFAOYSA-N
XLogP0.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-4-pyridin-3-ylbutan-2-one 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

(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 54279755
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
N-methyl-1-oxoboranylmethanamine;2-(oxoboranylmethylamino)-3-pyridin-3-ylpropanoic acid
CID 91463181
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 3-(methylamino)-4-pyridin-3-ylbutan-2-one (CID 22974289) is 3-(methylamino)-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 3-(methylamino)-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 3-(methylamino)-4-pyridin-3-ylbutan-2-one is CNC(Cc1cccnc1)C(C)=O.
What is the InChIKey of 3-(methylamino)-4-pyridin-3-ylbutan-2-one?
The InChIKey is LSJGOUDDKNVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)10(11-2)6-9-4-3-5-12-7-9/h3-5,7,10-11H,6H2,1-2H3.
What are the key properties of 3-(methylamino)-4-pyridin-3-ylbutan-2-one?
3-(methylamino)-4-pyridin-3-ylbutan-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 22974289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).