3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine

C20H18N6O — CID 67644890

IUPAC3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine
SMILESNc1cc(-c2ccncc2)c[nH]c1=O.Nc1cncc(-c2ccncc2)c1
InChIInChI=1S/C10H9N3O.C10H9N3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;11-10-5-9(6-13-7-10)8-1-3-12-4-2-8/h1-6H,11H2,(H,13,14);1-7H,11H2
InChIKeyDWKXNEHDIOOCPQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.74
Rot. Bonds2

About 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine

3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine (PubChem CID 67644890) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine
PubChem CID67644890
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine
SMILESNc1cc(-c2ccncc2)c[nH]c1=O.Nc1cncc(-c2ccncc2)c1
InChIInChI=1S/C10H9N3O.C10H9N3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;11-10-5-9(6-13-7-10)8-1-3-12-4-2-8/h1-6H,11H2,(H,13,14);1-7H,11H2
InChIKeyDWKXNEHDIOOCPQ-UHFFFAOYSA-N
XLogP2.74
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine?
The IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine (CID 67644890) is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine is Nc1cc(-c2ccncc2)c[nH]c1=O.Nc1cncc(-c2ccncc2)c1.
What is the InChIKey of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine?
The InChIKey is DWKXNEHDIOOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.C10H9N3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;11-10-5-9(6-13-7-10)8-1-3-12-4-2-8/h1-6H,11H2,(H,13,14);1-7H,11H2.
What are the key properties of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine?
3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine has a molecular weight of 358.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine is sourced from PubChem (CID 67644890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).