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

C10H14N2O — CID 116916055

IUPAC4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
SMILESCC(CCN)C(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-8(2-5-11)10(13)9-3-6-12-7-4-9/h3-4,6-8H,2,5,11H2,1H3
InChIKeyMHNIPEZMJRGXJE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.25
Rot. Bonds4

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

4-amino-2-methyl-1-pyridin-4-ylbutan-1-one (PubChem CID 116916055) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
PubChem CID116916055
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
SMILESCC(CCN)C(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-8(2-5-11)10(13)9-3-6-12-7-4-9/h3-4,6-8H,2,5,11H2,1H3
InChIKeyMHNIPEZMJRGXJE-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
(2S)-2-bromo-1-pyridin-4-ylpropan-1-one
CID 86316487
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
2-(pyridine-4-carbonyl)butanoic acid
CID 53419303
3-methylbutyl pyridine-4-carboxylate
CID 12509138
tert-butyl 2-methyl-3-oxo-3-pyridin-4-ylpropanoate
CID 66338711
ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
CID 10330780
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one?
The IUPAC name of 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one (CID 116916055) is 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one is CC(CCN)C(=O)c1ccncc1.
What is the InChIKey of 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one?
The InChIKey is MHNIPEZMJRGXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2-5-11)10(13)9-3-6-12-7-4-9/h3-4,6-8H,2,5,11H2,1H3.
What are the key properties of 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one?
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 116916055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).