6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide

C14H15ClN4O3 — CID 171770050

IUPAC6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Cl)nnc2C(N)=O)c(OC)c1
InChIInChI=1S/C14H15ClN4O3/c1-21-9-4-3-8(11(5-9)22-2)7-17-10-6-12(15)18-19-13(10)14(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyICIKXRXZBJLSJL-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.86
Rot. Bonds6

About 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide

6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 171770050) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID171770050
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Cl)nnc2C(N)=O)c(OC)c1
InChIInChI=1S/C14H15ClN4O3/c1-21-9-4-3-8(11(5-9)22-2)7-17-10-6-12(15)18-19-13(10)14(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyICIKXRXZBJLSJL-UHFFFAOYSA-N
XLogP1.86
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-[(3-fluoro-2-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide
CID 156880892
6-chloro-4-[(2-fluoro-6-methoxybenzoyl)amino]-N-methylpyridazine-3-carboxamide
CID 156881068
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridazine-3-carboxylate
CID 167241213
Methyl 6-(5-chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 168072460
6-(5-Chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 175411963
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-hexylpyrazole-5-carboxamide
CID 3931735
1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 24717746
6-Chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 17848276
Methyl 6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 17848313
3,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]pyridazin-4-amine
CID 81764934
6-chloro-4-(3-ethynyl-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 90134895
6-chloro-4-((3-cyano-2-methoxyphenyl)amino)-N-methylpyridazine-3-carboxamide
CID 90134957

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 171770050) is 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(CNc2cc(Cl)nnc2C(N)=O)c(OC)c1.
What is the InChIKey of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is ICIKXRXZBJLSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-21-9-4-3-8(11(5-9)22-2)7-17-10-6-12(15)18-19-13(10)14(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide?
6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 171770050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).