N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide

C20H17ClN4O3 — CID 109129093

IUPACN-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C20H17ClN4O3/c1-12(26)13-3-6-15(7-4-13)22-20(27)16-8-10-19(25-24-16)23-17-11-14(21)5-9-18(17)28-2/h3-11H,1-2H3,(H,22,27)(H,23,25)
InChIKeyRTEAPGVARRJGBR-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.34
Rot. Bonds6

About N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109129093) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109129093
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C20H17ClN4O3/c1-12(26)13-3-6-15(7-4-13)22-20(27)16-8-10-19(25-24-16)23-17-11-14(21)5-9-18(17)28-2/h3-11H,1-2H3,(H,22,27)(H,23,25)
InChIKeyRTEAPGVARRJGBR-UHFFFAOYSA-N
XLogP4.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide (CID 109129093) is N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is RTEAPGVARRJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12(26)13-3-6-15(7-4-13)22-20(27)16-8-10-19(25-24-16)23-17-11-14(21)5-9-18(17)28-2/h3-11H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).