3-amino-5-butyl-6-methyl-1H-pyridin-2-one

C10H16N2O — CID 10375036

IUPAC3-amino-5-butyl-6-methyl-1H-pyridin-2-one
SMILESCCCCc1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C10H16N2O/c1-3-4-5-8-6-9(11)10(13)12-7(8)2/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyHNLHPOGQLSWGGD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-5-butyl-6-methyl-1H-pyridin-2-one

3-amino-5-butyl-6-methyl-1H-pyridin-2-one (PubChem CID 10375036) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-amino-5-butyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-butyl-6-methyl-1H-pyridin-2-one
PubChem CID10375036
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-amino-5-butyl-6-methyl-1H-pyridin-2-one
SMILESCCCCc1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C10H16N2O/c1-3-4-5-8-6-9(11)10(13)12-7(8)2/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyHNLHPOGQLSWGGD-UHFFFAOYSA-N
XLogP1.61
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-butyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-butyl-6-methyl-1H-pyridin-2-one (CID 10375036) is 3-amino-5-butyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-butyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-butyl-6-methyl-1H-pyridin-2-one is CCCCc1cc(N)c(=O)[nH]c1C.
What is the InChIKey of 3-amino-5-butyl-6-methyl-1H-pyridin-2-one?
The InChIKey is HNLHPOGQLSWGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-8-6-9(11)10(13)12-7(8)2/h6H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-5-butyl-6-methyl-1H-pyridin-2-one?
3-amino-5-butyl-6-methyl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-butyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10375036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).