4-amino-3-methyl-1-pyridin-4-ylbutan-2-one

C10H14N2O — CID 116564669

IUPAC4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c1-8(7-11)10(13)6-9-2-4-12-5-3-9/h2-5,8H,6-7,11H2,1H3
InChIKeyRWHOXKFJZRISBY-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one

4-amino-3-methyl-1-pyridin-4-ylbutan-2-one (PubChem CID 116564669) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
PubChem CID116564669
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c1-8(7-11)10(13)6-9-2-4-12-5-3-9/h2-5,8H,6-7,11H2,1H3
InChIKeyRWHOXKFJZRISBY-UHFFFAOYSA-N
XLogP0.79
TPSA55.98 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
ethyl 2-(2-pyridin-4-ylacetyl)pentanoate
CID 83048780
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one?
The IUPAC name of 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one (CID 116564669) is 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one is CC(CN)C(=O)Cc1ccncc1.
What is the InChIKey of 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one?
The InChIKey is RWHOXKFJZRISBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(7-11)10(13)6-9-2-4-12-5-3-9/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one?
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 116564669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).