4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide

C16H18FIN4O3 — CID 59991406

IUPAC4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cnc(NCCO)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C16H18FIN4O3/c17-12-7-10(18)1-2-13(12)22-14-8-15(19-3-5-23)21-9-11(14)16(25)20-4-6-24/h1-2,7-9,23-24H,3-6H2,(H,20,25)(H2,19,21,22)
InChIKeyJFEGYYFTQASSFO-UHFFFAOYSA-N
MW460.25 g/mol
LogP1.70
Rot. Bonds8

About 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide (PubChem CID 59991406) has the molecular formula C16H18FIN4O3 and a molecular weight of 460.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide
PubChem CID59991406
Molecular FormulaC16H18FIN4O3
Molecular Weight460.25 g/mol
Exact Mass460.04
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cnc(NCCO)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C16H18FIN4O3/c17-12-7-10(18)1-2-13(12)22-14-8-15(19-3-5-23)21-9-11(14)16(25)20-4-6-24/h1-2,7-9,23-24H,3-6H2,(H,20,25)(H2,19,21,22)
InChIKeyJFEGYYFTQASSFO-UHFFFAOYSA-N
XLogP1.70
TPSA106.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.25
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluoro-4-iodoanilino)-5-(3-hydroxypropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 11283221
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
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
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
CID 22285950
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 175276663
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
N-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)-2-methylpyrimidine-4-carboxamide
CID 90656538
2-chloro-N-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)pyrimidine-4-carboxamide
CID 90656549

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide (CID 59991406) is 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide is O=C(NCCO)c1cnc(NCCO)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
The InChIKey is JFEGYYFTQASSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FIN4O3/c17-12-7-10(18)1-2-13(12)22-14-8-15(19-3-5-23)21-9-11(14)16(25)20-4-6-24/h1-2,7-9,23-24H,3-6H2,(H,20,25)(H2,19,21,22).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide has a molecular weight of 460.25 g/mol, XLogP of 1.70, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 59991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).