2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H16F3N3 — CID 78966431

IUPAC2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCC(C)N(C)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3/c1-4-5-9(2)19(3)12-10(8-17)6-7-11(18-12)13(14,15)16/h6-7,9H,4-5H2,1-3H3
InChIKeyLURQKVNRVCZJNB-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.60
Rot. Bonds4

About 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966431) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966431
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCC(C)N(C)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3/c1-4-5-9(2)19(3)12-10(8-17)6-7-11(18-12)13(14,15)16/h6-7,9H,4-5H2,1-3H3
InChIKeyLURQKVNRVCZJNB-UHFFFAOYSA-N
XLogP3.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
propan-2-yl 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoate
CID 133367282
2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034050
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876676
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966717
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966327
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetic acid
CID 79869540
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965959
2-[1-cyanopropan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868712
2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965968

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966431) is 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCCC(C)N(C)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LURQKVNRVCZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-4-5-9(2)19(3)12-10(8-17)6-7-11(18-12)13(14,15)16/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).