3-(propylamino)-1H-pyridin-4-one

C8H12N2O — CID 82667991

IUPAC3-(propylamino)-1H-pyridin-4-one
SMILESCCCNc1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O/c1-2-4-10-7-6-9-5-3-8(7)11/h3,5-6,10H,2,4H2,1H3,(H,9,11)
InChIKeyYAJCZMYWMUYMGZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.20
Rot. Bonds3

About 3-(propylamino)-1H-pyridin-4-one

3-(propylamino)-1H-pyridin-4-one (PubChem CID 82667991) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(propylamino)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(propylamino)-1H-pyridin-4-one
PubChem CID82667991
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(propylamino)-1H-pyridin-4-one
SMILESCCCNc1c[nH]ccc1=O
InChIInChI=1S/C8H12N2O/c1-2-4-10-7-6-9-5-3-8(7)11/h3,5-6,10H,2,4H2,1H3,(H,9,11)
InChIKeyYAJCZMYWMUYMGZ-UHFFFAOYSA-N
XLogP1.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1H-pyridin-4-one?
The IUPAC name of 3-(propylamino)-1H-pyridin-4-one (CID 82667991) is 3-(propylamino)-1H-pyridin-4-one.
What is the SMILES notation for 3-(propylamino)-1H-pyridin-4-one?
The canonical SMILES for 3-(propylamino)-1H-pyridin-4-one is CCCNc1c[nH]ccc1=O.
What is the InChIKey of 3-(propylamino)-1H-pyridin-4-one?
The InChIKey is YAJCZMYWMUYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-4-10-7-6-9-5-3-8(7)11/h3,5-6,10H,2,4H2,1H3,(H,9,11).
What are the key properties of 3-(propylamino)-1H-pyridin-4-one?
3-(propylamino)-1H-pyridin-4-one has a molecular weight of 152.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1H-pyridin-4-one is sourced from PubChem (CID 82667991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).