N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

C16H16F3N3O — CID 109194712

IUPACN,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H16F3N3O/c1-3-22(4-2)16(23)13-7-5-10(9-20-13)21-12-8-6-11(17)14(18)15(12)19/h5-9,21H,3-4H2,1-2H3
InChIKeyDKWKHEXDKCXWTI-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.72
Rot. Bonds5

About N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (PubChem CID 109194712) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
PubChem CID109194712
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H16F3N3O/c1-3-22(4-2)16(23)13-7-5-10(9-20-13)21-12-8-6-11(17)14(18)15(12)19/h5-9,21H,3-4H2,1-2H3
InChIKeyDKWKHEXDKCXWTI-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-5-(2,3,4-trifluoroanilino)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

N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194683
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
N-(2,6-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109200969
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
methyl 4-chloro-3-[[6-(diethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109194670
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (CID 109194712) is N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The InChIKey is DKWKHEXDKCXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-3-22(4-2)16(23)13-7-5-10(9-20-13)21-12-8-6-11(17)14(18)15(12)19/h5-9,21H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109194712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).