6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide

C16H14F2N4O3 — CID 166940184

IUPAC6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(C#N)c(F)cc2C(=O)NOCCO)c(F)c1
InChIInChI=1S/C16H14F2N4O3/c1-9-2-3-13(11(17)6-9)20-15-10(16(24)22-25-5-4-23)7-12(18)14(8-19)21-15/h2-3,6-7,23H,4-5H2,1H3,(H,20,21)(H,22,24)
InChIKeyLHYYRCKZDOLBHO-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.94
Rot. Bonds6

About 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide

6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide (PubChem CID 166940184) has the molecular formula C16H14F2N4O3 and a molecular weight of 348.31 g/mol. Its IUPAC name is 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
PubChem CID166940184
Molecular FormulaC16H14F2N4O3
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(C#N)c(F)cc2C(=O)NOCCO)c(F)c1
InChIInChI=1S/C16H14F2N4O3/c1-9-2-3-13(11(17)6-9)20-15-10(16(24)22-25-5-4-23)7-12(18)14(8-19)21-15/h2-3,6-7,23H,4-5H2,1H3,(H,20,21)(H,22,24)
InChIKeyLHYYRCKZDOLBHO-UHFFFAOYSA-N
XLogP1.94
TPSA107.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
5-acetyl-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrrole-3-carboxamide;ethane
CID 143666998
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
7-cyano-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide;ethane
CID 143686852
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-(formamidomethyl)-N-(2-hydroxyethoxy)benzamide
CID 143173044
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-[(Z)-2-hydroxyethoxyiminomethyl]benzamide
CID 143019291
6-cyano-2-(2-fluoro-4-iodoanilino)-N-[3-(hydroxyamino)-3-oxopropoxy]pyridine-3-carboxamide
CID 163497589
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-methylanilino)-N-(2-hydroxyethoxy)-5-[(E)-2-methoxyethoxyiminomethyl]benzamide
CID 143019288

Frequently Asked Questions

What is the IUPAC name of 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide (CID 166940184) is 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide is Cc1ccc(Nc2nc(C#N)c(F)cc2C(=O)NOCCO)c(F)c1.
What is the InChIKey of 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide?
The InChIKey is LHYYRCKZDOLBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3/c1-9-2-3-13(11(17)6-9)20-15-10(16(24)22-25-5-4-23)7-12(18)14(8-19)21-15/h2-3,6-7,23H,4-5H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide?
6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 166940184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).