N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide

C17H16F3N3O2 — CID 108926636

IUPACN-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-2-1-6-13(14)16(25)23-10-4-9-22-15(24)12-5-3-8-21-11-12/h1-3,5-8,11H,4,9-10H2,(H,22,24)(H,23,25)
InChIKeyNSGIBTYHPFAKFS-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.65
Rot. Bonds6

About N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide

N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 108926636) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
PubChem CID108926636
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-2-1-6-13(14)16(25)23-10-4-9-22-15(24)12-5-3-8-21-11-12/h1-3,5-8,11H,4,9-10H2,(H,22,24)(H,23,25)
InChIKeyNSGIBTYHPFAKFS-UHFFFAOYSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.65
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-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide (CID 108926636) is N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide is O=C(NCCCNC(=O)c1ccccc1C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is NSGIBTYHPFAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-2-1-6-13(14)16(25)23-10-4-9-22-15(24)12-5-3-8-21-11-12/h1-3,5-8,11H,4,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).