4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one

C10H15N3O — CID 116564663

IUPAC4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
SMILESCC(CN)C(=O)Cc1cccnc1N
InChIInChI=1S/C10H15N3O/c1-7(6-11)9(14)5-8-3-2-4-13-10(8)12/h2-4,7H,5-6,11H2,1H3,(H2,12,13)
InChIKeyGQNCYDWJMYUDLD-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds4

About 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one

4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one (PubChem CID 116564663) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
PubChem CID116564663
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
SMILESCC(CN)C(=O)Cc1cccnc1N
InChIInChI=1S/C10H15N3O/c1-7(6-11)9(14)5-8-3-2-4-13-10(8)12/h2-4,7H,5-6,11H2,1H3,(H2,12,13)
InChIKeyGQNCYDWJMYUDLD-UHFFFAOYSA-N
XLogP0.37
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
CID 116564413
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one?
The IUPAC name of 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one (CID 116564663) is 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one.
What is the SMILES notation for 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one?
The canonical SMILES for 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one is CC(CN)C(=O)Cc1cccnc1N.
What is the InChIKey of 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one?
The InChIKey is GQNCYDWJMYUDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(6-11)9(14)5-8-3-2-4-13-10(8)12/h2-4,7H,5-6,11H2,1H3,(H2,12,13).
What are the key properties of 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one?
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one is sourced from PubChem (CID 116564663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).