4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one

C9H14N2O — CID 169246666

IUPAC4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(C)C)c1N
InChIInChI=1S/C9H14N2O/c1-5(2)7-8(10)6(3)4-11-9(7)12/h4-5H,1-3H3,(H3,10,11,12)
InChIKeySYVXPUDNWYJTDI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds1

About 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one

4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 169246666) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
PubChem CID169246666
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(C)C)c1N
InChIInChI=1S/C9H14N2O/c1-5(2)7-8(10)6(3)4-11-9(7)12/h4-5H,1-3H3,(H3,10,11,12)
InChIKeySYVXPUDNWYJTDI-UHFFFAOYSA-N
XLogP1.39
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-propan-2-yl-1H-pyridin-2-one
CID 147790863
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
CID 130101153
3-amino-5-propan-2-yl-1H-pyridin-2-one
CID 105429770
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
2,4,6-trimethyl-3-propan-2-ylaniline
CID 121008425
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
2-(4-amino-5-methyl-2-oxo-1H-pyridin-3-yl)-2-iminoacetamide
CID 155372682
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063345
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 10965427
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
CID 130857100
4-bromo-3-propan-2-yl-1H-pyridin-2-one
CID 130055296

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one (CID 169246666) is 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(C(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is SYVXPUDNWYJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5(2)7-8(10)6(3)4-11-9(7)12/h4-5H,1-3H3,(H3,10,11,12).
What are the key properties of 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one?
4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 169246666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).