N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C19H16N4O3 — CID 113045734

IUPACN-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)c1
InChIInChI=1S/C19H16N4O3/c1-12-3-2-4-14(9-12)20-17-7-8-18(23-22-17)21-19(24)13-5-6-15-16(10-13)26-11-25-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyIOFUBXLQJPPQLG-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.51
Rot. Bonds4

About N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113045734) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113045734
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)c1
InChIInChI=1S/C19H16N4O3/c1-12-3-2-4-14(9-12)20-17-7-8-18(23-22-17)21-19(24)13-5-6-15-16(10-13)26-11-25-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyIOFUBXLQJPPQLG-UHFFFAOYSA-N
XLogP3.51
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
N-[3-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 38496033
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
N-(1,3-benzodioxol-5-yl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848247
6-(1,3-benzodioxol-5-ylamino)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118447

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113045734) is N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is Cc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)c1.
What is the InChIKey of N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IOFUBXLQJPPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-3-2-4-14(9-12)20-17-7-8-18(23-22-17)21-19(24)13-5-6-15-16(10-13)26-11-25-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113045734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).