N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C18H20F3N3 — CID 44548840

IUPACN-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1-c1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-7-4-10-22-17(15)14-8-9-16(24-12-14)23-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,23,24)
InChIKeyVERILEZNZBCTHX-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.15
Rot. Bonds4

About N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 44548840) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID44548840
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1-c1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-7-4-10-22-17(15)14-8-9-16(24-12-14)23-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,23,24)
InChIKeyVERILEZNZBCTHX-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 44548840) is N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1cccnc1-c1ccc(NCC2CCCCC2)nc1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is VERILEZNZBCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)15-7-4-10-22-17(15)14-8-9-16(24-12-14)23-11-13-5-2-1-3-6-13/h4,7-10,12-13H,1-3,5-6,11H2,(H,23,24).
What are the key properties of N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 44548840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).