6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3 — CID 11185187

IUPAC6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CC1CC1)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3
InChIKeyFLEBQMLITPURNH-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.60
Rot. Bonds5

About 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11185187) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11185187
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CC1CC1)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3
InChIKeyFLEBQMLITPURNH-UHFFFAOYSA-N
XLogP3.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11185187) is 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(CC1CC1)c1cc(C(F)(F)F)c(C#N)cn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FLEBQMLITPURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3.
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11185187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).