N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide

C17H17FIN3O3 — CID 169436317

IUPACN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C17H17FIN3O3/c1-8-14(23)13(16(24)20-10-4-5-10)15(22(2)17(8)25)21-12-6-3-9(19)7-11(12)18/h3,6-7,10,21,23H,4-5H2,1-2H3,(H,20,24)
InChIKeyFGZABESIXPRNLG-UHFFFAOYSA-N
MW457.24 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide

N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 169436317) has the molecular formula C17H17FIN3O3 and a molecular weight of 457.24 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID169436317
Molecular FormulaC17H17FIN3O3
Molecular Weight457.24 g/mol
Exact Mass457.03
IUPAC NameN-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C17H17FIN3O3/c1-8-14(23)13(16(24)20-10-4-5-10)15(22(2)17(8)25)21-12-6-3-9(19)7-11(12)18/h3,6-7,10,21,23H,4-5H2,1-2H3,(H,20,24)
InChIKeyFGZABESIXPRNLG-UHFFFAOYSA-N
XLogP2.78
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.24
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[5-(2-fluoro-4-iodoanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]benzamide
CID 71730962
4-[2-chloro-3-(sulfamoylamino)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170385424
4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170385401
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-[[3-methoxy-2-(methylsulfamoylamino)-4-pyridinyl]oxy]-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170385426
N-cyclopropyl-4-[3-(ethylsulfamoylamino)-2-methoxyphenoxy]-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170385445
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
4-(3-aminophenoxy)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide;ethane;methanethiol
CID 170602166
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
4-[2-chloro-3-(methylaminosulfanylamino)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170602072
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 67523092
N-cyclopropyl-3-[5-(2-fluoro-4-methylanilino)-3,6,8-trimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]benzamide
CID 129029621
N-cyclopropyl-4-[2-cyclopropyl-3-(methylaminosulfanylamino)phenoxy]-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170602104

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 169436317) is N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide is Cc1c(O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O.
What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is FGZABESIXPRNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FIN3O3/c1-8-14(23)13(16(24)20-10-4-5-10)15(22(2)17(8)25)21-12-6-3-9(19)7-11(12)18/h3,6-7,10,21,23H,4-5H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 457.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169436317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).