N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C12H14F3N3O2 — CID 75399276

IUPACN-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-5-4-8(7-18-9)11(20)17-6-2-1-3-10(16)19/h4-5,7H,1-3,6H2,(H2,16,19)(H,17,20)
InChIKeyXCEXXUSSBYXUCT-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.49
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 75399276) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID75399276
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-5-4-8(7-18-9)11(20)17-6-2-1-3-10(16)19/h4-5,7H,1-3,6H2,(H2,16,19)(H,17,20)
InChIKeyXCEXXUSSBYXUCT-UHFFFAOYSA-N
XLogP1.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.49
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

6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 163398213
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 75399276) is N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)CCCCNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XCEXXUSSBYXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-5-4-8(7-18-9)11(20)17-6-2-1-3-10(16)19/h4-5,7H,1-3,6H2,(H2,16,19)(H,17,20).
What are the key properties of N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 75399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).