5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile

C11H13F3N4 — CID 113326752

IUPAC5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCCCC(F)(F)F
InChIInChI=1S/C11H13F3N4/c12-11(13,14)3-1-2-4-17-10-8(6-15)5-9(16)7-18-10/h5,7H,1-4,16H2,(H,17,18)
InChIKeyHSYQLCGKHNZBTN-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.68
Rot. Bonds5

About 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile

5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile (PubChem CID 113326752) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
PubChem CID113326752
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCCCC(F)(F)F
InChIInChI=1S/C11H13F3N4/c12-11(13,14)3-1-2-4-17-10-8(6-15)5-9(16)7-18-10/h5,7H,1-4,16H2,(H,17,18)
InChIKeyHSYQLCGKHNZBTN-UHFFFAOYSA-N
XLogP2.68
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517940
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 62880770
5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 63831128
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788
5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
CID 55259715
5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 107845850
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile (CID 113326752) is 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCCCCC(F)(F)F.
What is the InChIKey of 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile?
The InChIKey is HSYQLCGKHNZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)3-1-2-4-17-10-8(6-15)5-9(16)7-18-10/h5,7H,1-4,16H2,(H,17,18).
What are the key properties of 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile?
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 113326752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).