N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C15H11N5O3 — CID 84581832

IUPACN-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N5O3/c21-15(10-1-3-12-13(5-10)23-9-22-12)19-11-2-4-14(16-6-11)20-7-17-18-8-20/h1-8H,9H2,(H,19,21)
InChIKeySXJHKIIIGKAERY-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.64
Rot. Bonds3

About N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 84581832) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID84581832
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC NameN-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N5O3/c21-15(10-1-3-12-13(5-10)23-9-22-12)19-11-2-4-14(16-6-11)20-7-17-18-8-20/h1-8H,9H2,(H,19,21)
InChIKeySXJHKIIIGKAERY-UHFFFAOYSA-N
XLogP1.64
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
CID 84579886
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42857915
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 84581832) is N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-n2cnnc2)nc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SXJHKIIIGKAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-15(10-1-3-12-13(5-10)23-9-22-12)19-11-2-4-14(16-6-11)20-7-17-18-8-20/h1-8H,9H2,(H,19,21).
What are the key properties of N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 84581832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).