N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide

C20H19ClN4O3 — CID 109128978

IUPACN-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nn2)c(OC)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-4-5-13(10-15(12)21)22-20(26)17-8-9-19(25-24-17)23-16-7-6-14(27-2)11-18(16)28-3/h4-11H,1-3H3,(H,22,26)(H,23,25)
InChIKeyMPDGCBWRZMGKGF-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109128978) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
PubChem CID109128978
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nn2)c(OC)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-4-5-13(10-15(12)21)22-20(26)17-8-9-19(25-24-17)23-16-7-6-14(27-2)11-18(16)28-3/h4-11H,1-3H3,(H,22,26)(H,23,25)
InChIKeyMPDGCBWRZMGKGF-UHFFFAOYSA-N
XLogP4.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127745
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109731
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221271

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide (CID 109128978) is N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nn2)c(OC)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is MPDGCBWRZMGKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-4-5-13(10-15(12)21)22-20(26)17-8-9-19(25-24-17)23-16-7-6-14(27-2)11-18(16)28-3/h4-11H,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).