N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide

C13H8Cl2N2O3 — CID 2471203

IUPACN-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-3-7(5-16-12(9)15)13(18)17-8-1-2-10-11(4-8)20-6-19-10/h1-5H,6H2,(H,17,18)
InChIKeyKZBRXYBRJHXPBT-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.37
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 2471203) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
PubChem CID2471203
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC NameN-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-3-7(5-16-12(9)15)13(18)17-8-1-2-10-11(4-8)20-6-19-10/h1-5H,6H2,(H,17,18)
InChIKeyKZBRXYBRJHXPBT-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
2-anilino-N-(1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide
CID 109265250
2-(1,3-benzodioxol-5-ylamino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270459
N-(1,3-benzodioxol-5-yl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270447
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide (CID 2471203) is N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is KZBRXYBRJHXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-9-3-7(5-16-12(9)15)13(18)17-8-1-2-10-11(4-8)20-6-19-10/h1-5H,6H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 311.12 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 2471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).