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

C19H16ClFN4O2 — CID 109128448

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(17(27-2)10-12(11)20)22-18-8-7-15(24-25-18)19(26)23-14-6-4-3-5-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyKBAYHGPLDISPJR-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

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

6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109128448) 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-(2-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109128448
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(17(27-2)10-12(11)20)22-18-8-7-15(24-25-18)19(26)23-14-6-4-3-5-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyKBAYHGPLDISPJR-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)pyridine-3-carboxamide
CID 109163247
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide (CID 109128448) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)nn1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is KBAYHGPLDISPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-9-16(17(27-2)10-12(11)20)22-18-8-7-15(24-25-18)19(26)23-14-6-4-3-5-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-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-(2-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).