N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide

C19H17ClN4O3 — CID 109128702

IUPACN-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-6-8-17(27-2)16(11-14)22-18-9-7-15(23-24-18)19(25)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyMNKVDKHOACVVGU-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

About N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide

N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109128702) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
PubChem CID109128702
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-6-8-17(27-2)16(11-14)22-18-9-7-15(23-24-18)19(25)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,25)(H,22,24)
InChIKeyMNKVDKHOACVVGU-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide (CID 109128702) is N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide is COc1ccc(OC)c(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is MNKVDKHOACVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-14-6-8-17(27-2)16(11-14)22-18-9-7-15(23-24-18)19(25)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).