4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C16H16F3N3O — CID 109216613

IUPAC4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H16F3N3O/c1-3-22(4-2)10-7-8-20-13(9-10)16(23)21-12-6-5-11(17)14(18)15(12)19/h5-9H,3-4H2,1-2H3,(H,21,23)
InChIKeyVJUVOUPRMIPJFB-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.60
Rot. Bonds5

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

4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109216613) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109216613
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H16F3N3O/c1-3-22(4-2)10-7-8-20-13(9-10)16(23)21-12-6-5-11(17)14(18)15(12)19/h5-9H,3-4H2,1-2H3,(H,21,23)
InChIKeyVJUVOUPRMIPJFB-UHFFFAOYSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109175957
4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109085587
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109216613) is 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is CCN(CC)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is VJUVOUPRMIPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-3-22(4-2)10-7-8-20-13(9-10)16(23)21-12-6-5-11(17)14(18)15(12)19/h5-9H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109216613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).