1-[2-(methylamino)-3-pyridinyl]butan-1-one

C10H14N2O — CID 59932550

IUPAC1-[2-(methylamino)-3-pyridinyl]butan-1-one
SMILESCCCC(=O)c1cccnc1NC
InChIInChI=1S/C10H14N2O/c1-3-5-9(13)8-6-4-7-12-10(8)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,12)
InChIKeyGUVZAJVSGGCGDZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(methylamino)-3-pyridinyl]butan-1-one

1-[2-(methylamino)-3-pyridinyl]butan-1-one (PubChem CID 59932550) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[2-(methylamino)-3-pyridinyl]butan-1-one.

Molecular Properties

Compound Name1-[2-(methylamino)-3-pyridinyl]butan-1-one
PubChem CID59932550
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[2-(methylamino)-3-pyridinyl]butan-1-one
SMILESCCCC(=O)c1cccnc1NC
InChIInChI=1S/C10H14N2O/c1-3-5-9(13)8-6-4-7-12-10(8)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,12)
InChIKeyGUVZAJVSGGCGDZ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-pyridinyl)butan-1-one
CID 14343356
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
CID 134870273
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180106
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-3-pyridinyl]butan-1-one?
The IUPAC name of 1-[2-(methylamino)-3-pyridinyl]butan-1-one (CID 59932550) is 1-[2-(methylamino)-3-pyridinyl]butan-1-one.
What is the SMILES notation for 1-[2-(methylamino)-3-pyridinyl]butan-1-one?
The canonical SMILES for 1-[2-(methylamino)-3-pyridinyl]butan-1-one is CCCC(=O)c1cccnc1NC.
What is the InChIKey of 1-[2-(methylamino)-3-pyridinyl]butan-1-one?
The InChIKey is GUVZAJVSGGCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-5-9(13)8-6-4-7-12-10(8)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 1-[2-(methylamino)-3-pyridinyl]butan-1-one?
1-[2-(methylamino)-3-pyridinyl]butan-1-one has a molecular weight of 178.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-3-pyridinyl]butan-1-one is sourced from PubChem (CID 59932550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).