6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide

C17H18ClFN4O — CID 109113080

IUPAC6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C17H18ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H,21,24)
InChIKeyJEWAUHBMJJGEHW-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.08
Rot. Bonds4

About 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide (PubChem CID 109113080) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
PubChem CID109113080
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C17H18ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H,21,24)
InChIKeyJEWAUHBMJJGEHW-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122922

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide (CID 109113080) is 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide?
The InChIKey is JEWAUHBMJJGEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H,21,24).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide is sourced from PubChem (CID 109113080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).