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

C14H12F3N3O — CID 62813308

IUPAC4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2cc(F)cc(F)c2F)c1
InChIInChI=1S/C14H12F3N3O/c1-2-18-9-3-4-19-12(7-9)14(21)20-11-6-8(15)5-10(16)13(11)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyDRONUTVDSAIUOR-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.18
Rot. Bonds4

About 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide

4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 62813308) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
PubChem CID62813308
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2cc(F)cc(F)c2F)c1
InChIInChI=1S/C14H12F3N3O/c1-2-18-9-3-4-19-12(7-9)14(21)20-11-6-8(15)5-10(16)13(11)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyDRONUTVDSAIUOR-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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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide (CID 62813308) is 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)Nc2cc(F)cc(F)c2F)c1.
What is the InChIKey of 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is DRONUTVDSAIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-2-18-9-3-4-19-12(7-9)14(21)20-11-6-8(15)5-10(16)13(11)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide?
4-(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 4-(ethylamino)-N-(2,3,5-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62813308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).