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

C13H15F3N4 — CID 106618416

IUPAC2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CC1CCCN1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N4/c1-20(8-10-3-2-6-18-10)12-9(7-17)4-5-11(19-12)13(14,15)16/h4-5,10,18H,2-3,6,8H2,1H3
InChIKeyRVEATIDKEKYDPN-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.16
Rot. Bonds3

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

2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 106618416) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID106618416
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CC1CCCN1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N4/c1-20(8-10-3-2-6-18-10)12-9(7-17)4-5-11(19-12)13(14,15)16/h4-5,10,18H,2-3,6,8H2,1H3
InChIKeyRVEATIDKEKYDPN-UHFFFAOYSA-N
XLogP2.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966717
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106618663
2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876676
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966327
2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
6-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106620667
5-[methyl(pyrrolidin-2-ylmethyl)amino]-2-nitrobenzonitrile
CID 106618500
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 106618416) is 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(CC1CCCN1)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RVEATIDKEKYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-20(8-10-3-2-6-18-10)12-9(7-17)4-5-11(19-12)13(14,15)16/h4-5,10,18H,2-3,6,8H2,1H3.
What are the key properties of 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 284.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 106618416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).