3-amino-2,6-dimethyl-1H-pyridin-4-one

C7H10N2O — CID 586556

IUPAC3-amino-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(N)c(C)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-3-6(10)7(8)5(2)9-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyAGMYJMJWQBOGLE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.57
Rot. Bonds

About 3-amino-2,6-dimethyl-1H-pyridin-4-one

3-amino-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 586556) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-1H-pyridin-4-one
PubChem CID586556
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-amino-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(N)c(C)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-3-6(10)7(8)5(2)9-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyAGMYJMJWQBOGLE-UHFFFAOYSA-N
XLogP0.57
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethyl-4-pyridinol
CID 83609
(3Z)-4-Amino-3-penten-2-one
CID 5355751
4-Amino-3-penten-2-one
CID 136873
(3E)-4-Amino-3-penten-2-one
CID 5367854
(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
4-Ethylaminopent-3-EN-2-one
CID 11804773
2,3,6-Trimethylpyridin-4-ol
CID 45079754
4-Methylaminopent-3-en-2-one
CID 566954
(Z)-4-(tert-butylamino)pent-3-en-2-one
CID 12671532
N-((1Z)-1-Methyl-3-oxo-1-buten-1-yl)acetamide
CID 12388193
2-Amino-6-methylpyridin-4-ol
CID 13157274
2,6-Diethylpyridin-4(1H)-one
CID 14950478

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-amino-2,6-dimethyl-1H-pyridin-4-one (CID 586556) is 3-amino-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-amino-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(N)c(C)[nH]1.
What is the InChIKey of 3-amino-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is AGMYJMJWQBOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-3-6(10)7(8)5(2)9-4/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-2,6-dimethyl-1H-pyridin-4-one?
3-amino-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 586556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).