1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one

C12H18N2O — CID 116561045

IUPAC1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
SMILESCCc1ccc(CC(=O)CCNC)nc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-5-11(14-9-10)8-12(15)6-7-13-2/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeySWGXZVGHNGPCPX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one

1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one (PubChem CID 116561045) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
PubChem CID116561045
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
SMILESCCc1ccc(CC(=O)CCNC)nc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-5-11(14-9-10)8-12(15)6-7-13-2/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeySWGXZVGHNGPCPX-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-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

1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one (CID 116561045) is 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one is CCc1ccc(CC(=O)CCNC)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
The InChIKey is SWGXZVGHNGPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10-4-5-11(14-9-10)8-12(15)6-7-13-2/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one?
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one is sourced from PubChem (CID 116561045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).