N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

C13H10N2O4 — CID 18109412

IUPACN-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O4/c16-9-2-1-5-14-12(9)15-13(17)8-3-4-10-11(6-8)19-7-18-10/h1-6,16H,7H2,(H,14,15,17)
InChIKeyASTIAJVMVUNOKN-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.77
Rot. Bonds2

About N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 18109412) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID18109412
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O4/c16-9-2-1-5-14-12(9)15-13(17)8-3-4-10-11(6-8)19-7-18-10/h1-6,16H,7H2,(H,14,15,17)
InChIKeyASTIAJVMVUNOKN-UHFFFAOYSA-N
XLogP1.77
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 18109412) is N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ncccc1O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ASTIAJVMVUNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-9-2-1-5-14-12(9)15-13(17)8-3-4-10-11(6-8)19-7-18-10/h1-6,16H,7H2,(H,14,15,17).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 258.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18109412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).