4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide

C17H21FN4O4 — CID 143439029

IUPAC4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCCO)nn(C)c(=O)c2C)c(F)c1
InChIInChI=1S/C17H21FN4O4/c1-10-5-6-13(12(18)9-10)19-14-11(2)17(25)22(3)20-15(14)16(24)21-26-8-4-7-23/h5-6,9,19,23H,4,7-8H2,1-3H3,(H,21,24)
InChIKeyYZDXSQXPWFXUSI-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.32
Rot. Bonds7

About 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide

4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 143439029) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID143439029
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCCO)nn(C)c(=O)c2C)c(F)c1
InChIInChI=1S/C17H21FN4O4/c1-10-5-6-13(12(18)9-10)19-14-11(2)17(25)22(3)20-15(14)16(24)21-26-8-4-7-23/h5-6,9,19,23H,4,7-8H2,1-3H3,(H,21,24)
InChIKeyYZDXSQXPWFXUSI-UHFFFAOYSA-N
XLogP1.32
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
6-chloro-7-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806439
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethyl 3-(2-fluoro-4-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826352
5-fluoro-4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 68816281
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
7-cyano-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide;ethane
CID 143686852
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide (CID 143439029) is 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide is Cc1ccc(Nc2c(C(=O)NOCCCO)nn(C)c(=O)c2C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YZDXSQXPWFXUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-10-5-6-13(12(18)9-10)19-14-11(2)17(25)22(3)20-15(14)16(24)21-26-8-4-7-23/h5-6,9,19,23H,4,7-8H2,1-3H3,(H,21,24).
What are the key properties of 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 143439029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).