6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide

C20H19ClN4O3 — CID 109117826

IUPAC6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccc3)nn2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-17-11-16(18(28-2)10-14(17)21)23-20(26)15-8-9-19(25-24-15)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFKUJVGQSOJLWFD-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.01
Rot. Bonds7

About 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109117826) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109117826
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccc3)nn2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-17-11-16(18(28-2)10-14(17)21)23-20(26)15-8-9-19(25-24-15)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFKUJVGQSOJLWFD-UHFFFAOYSA-N
XLogP4.01
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121317
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109117826) is 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide is COc1cc(NC(=O)c2ccc(NCc3ccccc3)nn2)c(OC)cc1Cl.
What is the InChIKey of 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is FKUJVGQSOJLWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-17-11-16(18(28-2)10-14(17)21)23-20(26)15-8-9-19(25-24-15)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).