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

C18H20F2N4O — CID 109125066

IUPACN-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C18H20F2N4O/c19-12-7-8-15(14(20)11-12)22-17-10-9-16(23-24-17)18(25)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,21,25)(H,22,24)
InChIKeyWZNVXKSZXYYHSO-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.95
Rot. Bonds4

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

N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide (PubChem CID 109125066) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
PubChem CID109125066
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C18H20F2N4O/c19-12-7-8-15(14(20)11-12)22-17-10-9-16(23-24-17)18(25)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,21,25)(H,22,24)
InChIKeyWZNVXKSZXYYHSO-UHFFFAOYSA-N
XLogP3.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
1-cyclopropyl-3-[6-(2,4-difluoroanilino)pyridazin-3-yl]urea
CID 113050539
N-cyclohexyl-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109113061
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-N-cyclohexyl-2-N-(2,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109095391
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112053
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide (CID 109125066) is N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)cc2F)nn1.
What is the InChIKey of N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
The InChIKey is WZNVXKSZXYYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c19-12-7-8-15(14(20)11-12)22-17-10-9-16(23-24-17)18(25)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,21,25)(H,22,24).
What are the key properties of N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide?
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).