3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid

C13H15N3O4 — CID 3035194

IUPAC3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;1-2(4)3(5)6/h1-6H,11H2,(H,13,14);2,4H,1H3,(H,5,6)
InChIKeyDOSIONJFGDSKCQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.47
Rot. Bonds2

About 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid

3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid (PubChem CID 3035194) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid
PubChem CID3035194
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;1-2(4)3(5)6/h1-6H,11H2,(H,13,14);2,4H,1H3,(H,5,6)
InChIKeyDOSIONJFGDSKCQ-UHFFFAOYSA-N
XLogP0.47
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid?
The IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid (CID 3035194) is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid.
What is the SMILES notation for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid?
The canonical SMILES for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid is CC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid?
The InChIKey is DOSIONJFGDSKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;1-2(4)3(5)6/h1-6H,11H2,(H,13,14);2,4H,1H3,(H,5,6).
What are the key properties of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid?
3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;2-hydroxypropanoic acid is sourced from PubChem (CID 3035194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).