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N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide

C13H10N2O3 — CID 591105

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-pyridin-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O3/c16-13(15-12-3-1-2-6-14-12)9-4-5-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16)
InChIKeyJRHINHCTXFHQIT-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.06
Rot. Bonds2

About N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide

N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 591105) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID591105
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC NameN-pyridin-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O3/c16-13(15-12-3-1-2-6-14-12)9-4-5-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16)
InChIKeyJRHINHCTXFHQIT-UHFFFAOYSA-N
XLogP2.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide (CID 591105) is N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is JRHINHCTXFHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(15-12-3-1-2-6-14-12)9-4-5-10-11(7-9)18-8-17-10/h1-7H,8H2,(H,14,15,16).
What are the key properties of N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide?
N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 242.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 591105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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