N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide

C19H15ClN4O3 — CID 109128821

IUPACN-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H15ClN4O3/c1-11-13(20)3-2-4-14(11)22-18-8-6-15(23-24-18)19(25)21-12-5-7-16-17(9-12)27-10-26-16/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyZZJIUASVAPVJFQ-UHFFFAOYSA-N
MW382.81 g/mol
LogP4.16
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109128821) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
PubChem CID109128821
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H15ClN4O3/c1-11-13(20)3-2-4-14(11)22-18-8-6-15(23-24-18)19(25)21-12-5-7-16-17(9-12)27-10-26-16/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyZZJIUASVAPVJFQ-UHFFFAOYSA-N
XLogP4.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
6-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850220
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
N-(1,3-benzodioxol-5-yl)-6-(4-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109129628
N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118331
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide (CID 109128821) is N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide is Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is ZZJIUASVAPVJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11-13(20)3-2-4-14(11)22-18-8-6-15(23-24-18)19(25)21-12-5-7-16-17(9-12)27-10-26-16/h2-9H,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).