N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide

C15H12F3N3O2 — CID 30348708

IUPACN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)9-20-13(22)10-3-1-5-12(7-10)21-14(23)11-4-2-6-19-8-11/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyBGSFODKZXGPNNU-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.63
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide

N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 30348708) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID30348708
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)9-20-13(22)10-3-1-5-12(7-10)21-14(23)11-4-2-6-19-8-11/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyBGSFODKZXGPNNU-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-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-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 17444241
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18271385
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 30348708) is N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BGSFODKZXGPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)9-20-13(22)10-3-1-5-12(7-10)21-14(23)11-4-2-6-19-8-11/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 30348708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).