6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide

C17H19FN4O2 — CID 133381848

IUPAC6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1F
InChIInChI=1S/C17H19FN4O2/c1-11-2-3-13(10-14(11)18)19-16-5-4-15(21-22-16)17(23)20-12-6-8-24-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyDQYZYKUNHMANJJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.58
Rot. Bonds4

About 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide

6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133381848) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133381848
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1F
InChIInChI=1S/C17H19FN4O2/c1-11-2-3-13(10-14(11)18)19-16-5-4-15(21-22-16)17(23)20-12-6-8-24-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyDQYZYKUNHMANJJ-UHFFFAOYSA-N
XLogP2.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122922
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110178
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133381848) is 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is DQYZYKUNHMANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-2-3-13(10-14(11)18)19-16-5-4-15(21-22-16)17(23)20-12-6-8-24-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133381848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).