3-amino-4-pyridin-4-yl-1H-pyridin-2-one

C10H9N3O — CID 25181364

IUPAC3-amino-4-pyridin-4-yl-1H-pyridin-2-one
SMILESNc1c(-c2ccncc2)cc[nH]c1=O
InChIInChI=1S/C10H9N3O/c11-9-8(3-6-13-10(9)14)7-1-4-12-5-2-7/h1-6H,11H2,(H,13,14)
InChIKeyFZLYJYHXBGWNRT-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About 3-amino-4-pyridin-4-yl-1H-pyridin-2-one

3-amino-4-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 25181364) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-amino-4-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-pyridin-4-yl-1H-pyridin-2-one
PubChem CID25181364
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-amino-4-pyridin-4-yl-1H-pyridin-2-one
SMILESNc1c(-c2ccncc2)cc[nH]c1=O
InChIInChI=1S/C10H9N3O/c11-9-8(3-6-13-10(9)14)7-1-4-12-5-2-7/h1-6H,11H2,(H,13,14)
InChIKeyFZLYJYHXBGWNRT-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-pyridin-4-yl-1H-pyridin-2-one (CID 25181364) is 3-amino-4-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-pyridin-4-yl-1H-pyridin-2-one is Nc1c(-c2ccncc2)cc[nH]c1=O.
What is the InChIKey of 3-amino-4-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is FZLYJYHXBGWNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-8(3-6-13-10(9)14)7-1-4-12-5-2-7/h1-6H,11H2,(H,13,14).
What are the key properties of 3-amino-4-pyridin-4-yl-1H-pyridin-2-one?
3-amino-4-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 25181364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).