6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide

C16H13FIN5O4 — CID 163497589

IUPAC6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NOCCC(=O)NO)c(Nc2ccc(I)cc2F)n1
InChIInChI=1S/C16H13FIN5O4/c17-12-7-9(18)1-4-13(12)21-15-11(3-2-10(8-19)20-15)16(25)23-27-6-5-14(24)22-26/h1-4,7,26H,5-6H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyCSAOREKIOMUXKE-UHFFFAOYSA-N
MW485.21 g/mol
LogP2.00
Rot. Bonds7

About 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide

6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide (PubChem CID 163497589) has the molecular formula C16H13FIN5O4 and a molecular weight of 485.21 g/mol. Its IUPAC name is 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide
PubChem CID163497589
Molecular FormulaC16H13FIN5O4
Molecular Weight485.21 g/mol
Exact Mass485.00
IUPAC Name6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NOCCC(=O)NO)c(Nc2ccc(I)cc2F)n1
InChIInChI=1S/C16H13FIN5O4/c17-12-7-9(18)1-4-13(12)21-15-11(3-2-10(8-19)20-15)16(25)23-27-6-5-14(24)22-26/h1-4,7,26H,5-6H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyCSAOREKIOMUXKE-UHFFFAOYSA-N
XLogP2.00
TPSA136.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.21
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
CID 175167666
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 166940184
ethyl 6-cyano-2-(2-fluoro-4-iodoanilino)-5-methylpyridine-3-carboxylate
CID 141427172
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[[hydroxy-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
CID 87260239
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-N-(2-hydroxyethoxy)-C-(2-hydroxyethyl)carbonimidoyl]benzamide
CID 11376705
6-chloro-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)pyridazine-4-carboxamide
CID 59424202
5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide (CID 163497589) is 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide is N#Cc1ccc(C(=O)NOCCC(=O)NO)c(Nc2ccc(I)cc2F)n1.
What is the InChIKey of 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide?
The InChIKey is CSAOREKIOMUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN5O4/c17-12-7-9(18)1-4-13(12)21-15-11(3-2-10(8-19)20-15)16(25)23-27-6-5-14(24)22-26/h1-4,7,26H,5-6H2,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide?
6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide has a molecular weight of 485.21 g/mol, XLogP of 2.00, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide is sourced from PubChem (CID 163497589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).