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

C15H16F2N4O — CID 109111343

IUPAC6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H16F2N4O/c1-9(2)8-18-15(22)13-5-6-14(21-20-13)19-10-3-4-11(16)12(17)7-10/h3-7,9H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMHVPLQZZMLCZJA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.88
Rot. Bonds5

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

6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111343) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111343
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H16F2N4O/c1-9(2)8-18-15(22)13-5-6-14(21-20-13)19-10-3-4-11(16)12(17)7-10/h3-7,9H,8H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMHVPLQZZMLCZJA-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111343) is 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is MHVPLQZZMLCZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-9(2)8-18-15(22)13-5-6-14(21-20-13)19-10-3-4-11(16)12(17)7-10/h3-7,9H,8H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).