N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide

C18H13ClF2N4O2 — CID 109129078

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)cc3F)nn2)cc1Cl
InChIInChI=1S/C18H13ClF2N4O2/c1-27-16-6-3-11(9-12(16)19)22-18(26)15-5-7-17(25-24-15)23-14-4-2-10(20)8-13(14)21/h2-9H,1H3,(H,22,26)(H,23,25)
InChIKeyQDASLPJNOUMNEP-UHFFFAOYSA-N
MW390.78 g/mol
LogP4.41
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide (PubChem CID 109129078) has the molecular formula C18H13ClF2N4O2 and a molecular weight of 390.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
PubChem CID109129078
Molecular FormulaC18H13ClF2N4O2
Molecular Weight390.78 g/mol
Exact Mass390.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(F)cc3F)nn2)cc1Cl
InChIInChI=1S/C18H13ClF2N4O2/c1-27-16-6-3-11(9-12(16)19)22-18(26)15-5-7-17(25-24-15)23-14-4-2-10(20)8-13(14)21/h2-9H,1H3,(H,22,26)(H,23,25)
InChIKeyQDASLPJNOUMNEP-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.78
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120146
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide (CID 109129078) is N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(F)cc3F)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The InChIKey is QDASLPJNOUMNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2/c1-27-16-6-3-11(9-12(16)19)22-18(26)15-5-7-17(25-24-15)23-14-4-2-10(20)8-13(14)21/h2-9H,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide has a molecular weight of 390.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).