6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide

C19H16ClFN4O2 — CID 109130116

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-8-16(17(27-2)10-14(11)20)23-18-7-6-15(24-25-18)19(26)22-13-5-3-4-12(21)9-13/h3-10H,1-2H3,(H,22,26)(H,23,25)
InChIKeyYFGSHOCBKMCKAK-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

About 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide

6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109130116) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109130116
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-8-16(17(27-2)10-14(11)20)23-18-7-6-15(24-25-18)19(26)22-13-5-3-4-12(21)9-13/h3-10H,1-2H3,(H,22,26)(H,23,25)
InChIKeyYFGSHOCBKMCKAK-UHFFFAOYSA-N
XLogP4.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide (CID 109130116) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2cccc(F)c2)nn1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is YFGSHOCBKMCKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-8-16(17(27-2)10-14(11)20)23-18-7-6-15(24-25-18)19(26)22-13-5-3-4-12(21)9-13/h3-10H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109130116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).