N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide

C15H13FN4O — CID 105070921

IUPACN-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H13FN4O/c1-2-19-14-9-18-6-5-12(14)15(21)20-13-4-3-11(16)7-10(13)8-17/h3-7,9,19H,2H2,1H3,(H,20,21)
InChIKeyZZNNCFJUMOVFRW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.78
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide

N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105070921) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105070921
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H13FN4O/c1-2-19-14-9-18-6-5-12(14)15(21)20-13-4-3-11(16)7-10(13)8-17/h3-7,9,19H,2H2,1H3,(H,20,21)
InChIKeyZZNNCFJUMOVFRW-UHFFFAOYSA-N
XLogP2.78
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(4-cyano-2-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070875
N-(3,5-difluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068357
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376511
N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068441
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide (CID 105070921) is N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is ZZNNCFJUMOVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-2-19-14-9-18-6-5-12(14)15(21)20-13-4-3-11(16)7-10(13)8-17/h3-7,9,19H,2H2,1H3,(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide?
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).