6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

C19H16F2N4O2 — CID 109120146

IUPAC6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)11-22-19(26)16-8-9-18(25-24-16)23-15-7-6-13(20)10-14(15)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZJJDBYYJXGRYGJ-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.44
Rot. Bonds6

About 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109120146) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109120146
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)11-22-19(26)16-8-9-18(25-24-16)23-15-7-6-13(20)10-14(15)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZJJDBYYJXGRYGJ-UHFFFAOYSA-N
XLogP3.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109430
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122035
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109111374
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109120146) is 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc(F)cc2F)nn1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is ZJJDBYYJXGRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)11-22-19(26)16-8-9-18(25-24-16)23-15-7-6-13(20)10-14(15)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109120146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).