2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H11F3N4 — CID 78965968

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(Cc1cccnc1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H11F3N4/c1-21(9-10-3-2-6-19-8-10)13-11(7-18)4-5-12(20-13)14(15,16)17/h2-6,8H,9H2,1H3
InChIKeyIGYKYAAZHPSFAV-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.00
Rot. Bonds3

About 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78965968) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78965968
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(Cc1cccnc1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H11F3N4/c1-21(9-10-3-2-6-19-8-10)13-11(7-18)4-5-12(20-13)14(15,16)17/h2-6,8H,9H2,1H3
InChIKeyIGYKYAAZHPSFAV-UHFFFAOYSA-N
XLogP3.00
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 107533248
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965959
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133413062
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78965968) is 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(Cc1cccnc1)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IGYKYAAZHPSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-21(9-10-3-2-6-19-8-10)13-11(7-18)4-5-12(20-13)14(15,16)17/h2-6,8H,9H2,1H3.
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78965968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).