N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide

C17H18FIN4O3 — CID 16667254

IUPACN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1c(Nc2ccc(I)cc2F)c(C(=O)NOCC2CC2)nn(C)c1=O
InChIInChI=1S/C17H18FIN4O3/c1-9-14(20-13-6-5-11(19)7-12(13)18)15(21-23(2)17(9)25)16(24)22-26-8-10-3-4-10/h5-7,10,20H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyFULPMPNPMIXYPZ-UHFFFAOYSA-N
MW472.26 g/mol
LogP2.65
Rot. Bonds6

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

N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 16667254) has the molecular formula C17H18FIN4O3 and a molecular weight of 472.26 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID16667254
Molecular FormulaC17H18FIN4O3
Molecular Weight472.26 g/mol
Exact Mass472.04
IUPAC NameN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCc1c(Nc2ccc(I)cc2F)c(C(=O)NOCC2CC2)nn(C)c1=O
InChIInChI=1S/C17H18FIN4O3/c1-9-14(20-13-6-5-11(19)7-12(13)18)15(21-23(2)17(9)25)16(24)22-26-8-10-3-4-10/h5-7,10,20H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyFULPMPNPMIXYPZ-UHFFFAOYSA-N
XLogP2.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 143439029
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
CID 44603204
N-(cyclopropylmethoxy)-7-fluoro-6-(2-fluoro-4-iodoanilino)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 141401959
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
N-(cyclopropylmethoxy)-7-fluoro-3-(3-hydroxypropyl)-6-(4-iodo-2-methylanilino)benzimidazole-5-carboxamide
CID 58781123
N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
CID 90876061
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrrol-1-ylbenzamide
CID 139878864
methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methylanilino)benzimidazol-1-yl]acetate
CID 11478420
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide (CID 16667254) is N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide is Cc1c(Nc2ccc(I)cc2F)c(C(=O)NOCC2CC2)nn(C)c1=O.
What is the InChIKey of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FULPMPNPMIXYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN4O3/c1-9-14(20-13-6-5-11(19)7-12(13)18)15(21-23(2)17(9)25)16(24)22-26-8-10-3-4-10/h5-7,10,20H,3-4,8H2,1-2H3,(H,22,24).
What are the key properties of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide?
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 472.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 16667254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).