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

C13H15N3O4 — CID 656683

IUPAC3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid
SMILESNc1cc(-c2ccncc2)c[nH]c1=O.O=C(O)CCO
InChIInChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6)
InChIKeyNSLALHQEHXBOHP-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.47
Rot. Bonds3

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

3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid (PubChem CID 656683) 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;3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid
PubChem CID656683
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid
SMILESNc1cc(-c2ccncc2)c[nH]c1=O.O=C(O)CCO
InChIInChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6)
InChIKeyNSLALHQEHXBOHP-UHFFFAOYSA-N
XLogP0.47
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
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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Launch Full Analysis

Related Compounds

Amrinone
CID 3698
Inamrinone Lactate
CID 3035194
Milrinone Lactate
CID 172293
3-amino-5-(3-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 44303039
N~1~-(3-hydroxypropyl)-N~2~-(4-pyridinylmethyl)ethanediamide
CID 1714317
3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 12799333
2-Oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 12873362
3-amino-4-pyridin-4-yl-1H-pyridin-2-one
CID 25181364
5-Amino-[3,3'-bipyridin]-6(1H)-one
CID 119131
3-{[(Pyridin-4-yl)methyl]carbamoyl}prop-2-enoic acid
CID 240620
5-Isocyano-2-methyl-[3,4'-bipyridin]-6(1H)-one
CID 6610307
5-amino-1-methyl-[3,4'-bipyridin]-6(1H)-one
CID 23339828

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid?
The IUPAC name of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid (CID 656683) is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid.
What is the SMILES notation for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid?
The canonical SMILES for 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid is Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(O)CCO.
What is the InChIKey of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid?
The InChIKey is NSLALHQEHXBOHP-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;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6).
What are the key properties of 3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid?
3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.47, 3 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;3-hydroxypropanoic acid is sourced from PubChem (CID 656683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).