5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide

C14H12F3N3O — CID 104641163

IUPAC5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(F)cc(F)c2F)nc1
InChIInChI=1S/C14H12F3N3O/c1-2-18-9-3-4-11(19-7-9)14(21)20-12-6-8(15)5-10(16)13(12)17/h3-7,18H,2H2,1H3,(H,20,21)
InChIKeySVWGWQVRPIQUBS-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.18
Rot. Bonds4

About 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide

5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 104641163) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
PubChem CID104641163
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(F)cc(F)c2F)nc1
InChIInChI=1S/C14H12F3N3O/c1-2-18-9-3-4-11(19-7-9)14(21)20-12-6-8(15)5-10(16)13(12)17/h3-7,18H,2H2,1H3,(H,20,21)
InChIKeySVWGWQVRPIQUBS-UHFFFAOYSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(ethylamino)-N-(2,4,6-trifluorophenyl)pyridine-2-carboxamide
CID 104641649
4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
CID 62813308
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
5-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 104640093
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
5-(methylamino)-N-(2,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 104641160

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide (CID 104641163) is 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide is CCNc1ccc(C(=O)Nc2cc(F)cc(F)c2F)nc1.
What is the InChIKey of 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is SVWGWQVRPIQUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-2-18-9-3-4-11(19-7-9)14(21)20-12-6-8(15)5-10(16)13(12)17/h3-7,18H,2H2,1H3,(H,20,21).
What are the key properties of 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104641163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).