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

C14H9N3O3 — CID 62354122

IUPACN-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H9N3O3/c15-6-9-1-4-13(16-7-9)17-14(18)10-2-3-11-12(5-10)20-8-19-11/h1-5,7H,8H2,(H,16,17,18)
InChIKeyJDMZXEOQUDBFMK-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.93
Rot. Bonds2

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

N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 62354122) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID62354122
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC NameN-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H9N3O3/c15-6-9-1-4-13(16-7-9)17-14(18)10-2-3-11-12(5-10)20-8-19-11/h1-5,7H,8H2,(H,16,17,18)
InChIKeyJDMZXEOQUDBFMK-UHFFFAOYSA-N
XLogP1.93
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 62354122) is N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is N#Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is JDMZXEOQUDBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c15-6-9-1-4-13(16-7-9)17-14(18)10-2-3-11-12(5-10)20-8-19-11/h1-5,7H,8H2,(H,16,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 62354122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).