N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide

C16H14F3N3O2 — CID 108542424

IUPACN-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)15(24)22-10-9-21-14(23)11-5-7-20-8-6-11/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKeyWKUNYKAUOGNOOA-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.26
Rot. Bonds5

About N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 108542424) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
PubChem CID108542424
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)15(24)22-10-9-21-14(23)11-5-7-20-8-6-11/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKeyWKUNYKAUOGNOOA-UHFFFAOYSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide (CID 108542424) is N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide is O=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccncc1.
What is the InChIKey of N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is WKUNYKAUOGNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)15(24)22-10-9-21-14(23)11-5-7-20-8-6-11/h1-8H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108542424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).