6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile

C15H13F3N4 — CID 156830619

IUPAC6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
SMILESCC(NCc1ccc(C(F)(F)F)cn1)c1cccc(C#N)n1
InChIInChI=1S/C15H13F3N4/c1-10(14-4-2-3-12(7-19)22-14)20-9-13-6-5-11(8-21-13)15(16,17)18/h2-6,8,10,20H,9H2,1H3
InChIKeyLEZPSAOYLPYZFJ-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.22
Rot. Bonds4

About 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile

6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile (PubChem CID 156830619) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
PubChem CID156830619
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
SMILESCC(NCc1ccc(C(F)(F)F)cn1)c1cccc(C#N)n1
InChIInChI=1S/C15H13F3N4/c1-10(14-4-2-3-12(7-19)22-14)20-9-13-6-5-11(8-21-13)15(16,17)18/h2-6,8,10,20H,9H2,1H3
InChIKeyLEZPSAOYLPYZFJ-UHFFFAOYSA-N
XLogP3.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-isocyano-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750318
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750268
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile
CID 137495636
3-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]benzonitrile
CID 42955451
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile (CID 156830619) is 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile is CC(NCc1ccc(C(F)(F)F)cn1)c1cccc(C#N)n1.
What is the InChIKey of 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile?
The InChIKey is LEZPSAOYLPYZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c1-10(14-4-2-3-12(7-19)22-14)20-9-13-6-5-11(8-21-13)15(16,17)18/h2-6,8,10,20H,9H2,1H3.
What are the key properties of 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile?
6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile has a molecular weight of 306.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 156830619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).