5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide

C11H14F3N3O — CID 114162427

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-4-5-10(17-7-8)16-6-2-1-3-9(15)18/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyPIFLHAVWJZBRNI-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.17
Rot. Bonds6

About 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide

5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide (PubChem CID 114162427) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
PubChem CID114162427
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-4-5-10(17-7-8)16-6-2-1-3-9(15)18/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyPIFLHAVWJZBRNI-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.17
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-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
1-tert-butyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063597
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide (CID 114162427) is 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide is NC(=O)CCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The InChIKey is PIFLHAVWJZBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-4-5-10(17-7-8)16-6-2-1-3-9(15)18/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17).
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide has a molecular weight of 261.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide is sourced from PubChem (CID 114162427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).