N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

C13H10N2O4 — CID 110744331

IUPACN-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O4/c16-12(15-9-2-1-5-14-13(9)17)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyWNCBJISWSKLVDQ-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.36
Rot. Bonds2

About N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide

N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110744331) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID110744331
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O4/c16-12(15-9-2-1-5-14-13(9)17)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyWNCBJISWSKLVDQ-UHFFFAOYSA-N
XLogP1.36
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide
CID 46636704
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 23992808
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide (CID 110744331) is N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc[nH]c1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WNCBJISWSKLVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12(15-9-2-1-5-14-13(9)17)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 258.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110744331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).