N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C11H14F3N3O — CID 113368697

IUPACN-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNCCCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-4-9(17-7-8)10(18)16-6-2-1-5-15/h3-4,7H,1-2,5-6,15H2,(H,16,18)
InChIKeyMGLARLRQDZEPHX-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.57
Rot. Bonds5

About N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 113368697) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID113368697
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNCCCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-4-9(17-7-8)10(18)16-6-2-1-5-15/h3-4,7H,1-2,5-6,15H2,(H,16,18)
InChIKeyMGLARLRQDZEPHX-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.57
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-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
N-(4-amino-4-sulfanylidenebutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908481
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-(4-bromopentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106130786
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909276
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-[(E)-4-chlorobut-2-enyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909073

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 113368697) is N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide is NCCCCNC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MGLARLRQDZEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-3-4-9(17-7-8)10(18)16-6-2-1-5-15/h3-4,7H,1-2,5-6,15H2,(H,16,18).
What are the key properties of N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113368697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).