3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one

C8H12N2O — CID 81051110

IUPAC3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(CN)c(C)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-8(11)7(4-9)6(2)10-5/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyDSVJWTLKEMQGEK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.45
Rot. Bonds1

About 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one

3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 81051110) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one
PubChem CID81051110
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(CN)c(C)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-8(11)7(4-9)6(2)10-5/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyDSVJWTLKEMQGEK-UHFFFAOYSA-N
XLogP0.45
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Streptazone D
CID 10464645
2,3,6-Trimethylpyridin-4-ol
CID 45079754
4-Amino-5-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione
CID 85863624
4-Oxo-6-methyl-1,2,3,4-tetrahydropyridine
CID 12291208
4-(Butylamino)-5-ethylcyclohexa-3,5-diene-1,2-dione
CID 12109450
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544438
2-methyl-5-[(2,2,2-trifluoroethylamino)methyl]-1H-pyridin-4-one
CID 108098639
5-[(2,2-difluoroethylamino)methyl]-2-methyl-1H-pyridin-4-one
CID 108098645
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxy-3-methylpyridine
CID 118814346
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-6-methylpyridine
CID 118842314
3-(aminomethyl)-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076573
3-(aminomethyl)-6-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130079406

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one (CID 81051110) is 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(CN)c(C)[nH]1.
What is the InChIKey of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is DSVJWTLKEMQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-3-8(11)7(4-9)6(2)10-5/h3H,4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one?
3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 81051110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).