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

C13H9ClN2O3 — CID 952845

IUPACN-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9ClN2O3/c14-9-2-4-12(15-6-9)16-13(17)8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,16,17)
InChIKeyZVHDMBPXYHAZPZ-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.72
Rot. Bonds2

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

N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 952845) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID952845
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC NameN-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9ClN2O3/c14-9-2-4-12(15-6-9)16-13(17)8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,16,17)
InChIKeyZVHDMBPXYHAZPZ-UHFFFAOYSA-N
XLogP2.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35994682
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-pyridinyl)penta-2,4-dienamide
CID 53302716

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 952845) is N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZVHDMBPXYHAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-2-4-12(15-6-9)16-13(17)8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 276.68 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 952845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).