3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide

C19H21FIN3O3 — CID 143220424

IUPAC3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
SMILESO=C(NOCCC1CCCCO1)c1ccncc1Nc1ccc(I)cc1F
InChIInChI=1S/C19H21FIN3O3/c20-16-11-13(21)4-5-17(16)23-18-12-22-8-6-15(18)19(25)24-27-10-7-14-3-1-2-9-26-14/h4-6,8,11-12,14,23H,1-3,7,9-10H2,(H,24,25)
InChIKeyDMHXAWKMKWEXBZ-UHFFFAOYSA-N
MW485.30 g/mol
LogP4.19
Rot. Bonds7

About 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide

3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide (PubChem CID 143220424) has the molecular formula C19H21FIN3O3 and a molecular weight of 485.30 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
PubChem CID143220424
Molecular FormulaC19H21FIN3O3
Molecular Weight485.30 g/mol
Exact Mass485.06
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
SMILESO=C(NOCCC1CCCCO1)c1ccncc1Nc1ccc(I)cc1F
InChIInChI=1S/C19H21FIN3O3/c20-16-11-13(21)4-5-17(16)23-18-12-22-8-6-15(18)19(25)24-27-10-7-14-3-1-2-9-26-14/h4-6,8,11-12,14,23H,1-3,7,9-10H2,(H,24,25)
InChIKeyDMHXAWKMKWEXBZ-UHFFFAOYSA-N
XLogP4.19
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.30
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide
CID 11677348
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide (CID 143220424) is 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide is O=C(NOCCC1CCCCO1)c1ccncc1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide?
The InChIKey is DMHXAWKMKWEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FIN3O3/c20-16-11-13(21)4-5-17(16)23-18-12-22-8-6-15(18)19(25)24-27-10-7-14-3-1-2-9-26-14/h4-6,8,11-12,14,23H,1-3,7,9-10H2,(H,24,25).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide has a molecular weight of 485.30 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide is sourced from PubChem (CID 143220424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).