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

C13H10N2O3 — CID 651992

IUPACN-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O3/c16-13(15-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-17-11/h1-7H,8H2,(H,15,16)
InChIKeyIVVPXPMIOXBGHM-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.06
Rot. Bonds2

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

N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 651992) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
PubChem CID651992
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC NameN-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N2O3/c16-13(15-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-17-11/h1-7H,8H2,(H,15,16)
InChIKeyIVVPXPMIOXBGHM-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-3-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide (CID 651992) is N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is IVVPXPMIOXBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(15-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-17-11/h1-7H,8H2,(H,15,16).
What are the key properties of N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide?
N-pyridin-3-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-3-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 651992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).