3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine

C24H27F6N3 — CID 57486831

IUPAC3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine
SMILESCc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(NC(C2CC2)C2CC2)nc1C
InChIInChI=1S/C24H27F6N3/c1-13-7-18(22(32-14(13)2)33-21(16-3-4-16)17-5-6-17)12-31-11-15-8-19(23(25,26)27)10-20(9-15)24(28,29)30/h7-10,16-17,21,31H,3-6,11-12H2,1-2H3,(H,32,33)
InChIKeyNRZFSXFWCJTAJG-UHFFFAOYSA-N
MW471.49 g/mol
LogP6.63
Rot. Bonds8

About 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine

3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine (PubChem CID 57486831) has the molecular formula C24H27F6N3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine
PubChem CID57486831
Molecular FormulaC24H27F6N3
Molecular Weight471.49 g/mol
Exact Mass471.21
IUPAC Name3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine
SMILESCc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(NC(C2CC2)C2CC2)nc1C
InChIInChI=1S/C24H27F6N3/c1-13-7-18(22(32-14(13)2)33-21(16-3-4-16)17-5-6-17)12-31-11-15-8-19(23(25,26)27)10-20(9-15)24(28,29)30/h7-10,16-17,21,31H,3-6,11-12H2,1-2H3,(H,32,33)
InChIKeyNRZFSXFWCJTAJG-UHFFFAOYSA-N
XLogP6.63
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine?
The IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine (CID 57486831) is 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine is Cc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(NC(C2CC2)C2CC2)nc1C.
What is the InChIKey of 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine?
The InChIKey is NRZFSXFWCJTAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N3/c1-13-7-18(22(32-14(13)2)33-21(16-3-4-16)17-5-6-17)12-31-11-15-8-19(23(25,26)27)10-20(9-15)24(28,29)30/h7-10,16-17,21,31H,3-6,11-12H2,1-2H3,(H,32,33).
What are the key properties of 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine?
3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine has a molecular weight of 471.49 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-5,6-dimethylpyridin-2-amine is sourced from PubChem (CID 57486831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).