2-(6-oxo-1H-pyridin-3-yl)propanediamide

C8H9N3O3 — CID 173126587

IUPAC2-(6-oxo-1H-pyridin-3-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9N3O3/c9-7(13)6(8(10)14)4-1-2-5(12)11-3-4/h1-3,6H,(H2,9,13)(H2,10,14)(H,11,12)
InChIKeyHELYWTMPUDBZOS-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.57
Rot. Bonds3

About 2-(6-oxo-1H-pyridin-3-yl)propanediamide

2-(6-oxo-1H-pyridin-3-yl)propanediamide (PubChem CID 173126587) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridin-3-yl)propanediamide.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridin-3-yl)propanediamide
PubChem CID173126587
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-(6-oxo-1H-pyridin-3-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9N3O3/c9-7(13)6(8(10)14)4-1-2-5(12)11-3-4/h1-3,6H,(H2,9,13)(H2,10,14)(H,11,12)
InChIKeyHELYWTMPUDBZOS-UHFFFAOYSA-N
XLogP-1.57
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170818894
2,3-dihydroxy-3-(6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171871292
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)propanediamide?
The IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)propanediamide (CID 173126587) is 2-(6-oxo-1H-pyridin-3-yl)propanediamide.
What is the SMILES notation for 2-(6-oxo-1H-pyridin-3-yl)propanediamide?
The canonical SMILES for 2-(6-oxo-1H-pyridin-3-yl)propanediamide is NC(=O)C(C(N)=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-(6-oxo-1H-pyridin-3-yl)propanediamide?
The InChIKey is HELYWTMPUDBZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-7(13)6(8(10)14)4-1-2-5(12)11-3-4/h1-3,6H,(H2,9,13)(H2,10,14)(H,11,12).
What are the key properties of 2-(6-oxo-1H-pyridin-3-yl)propanediamide?
2-(6-oxo-1H-pyridin-3-yl)propanediamide has a molecular weight of 195.18 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridin-3-yl)propanediamide is sourced from PubChem (CID 173126587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).