1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C21H25F3N4O — CID 71655312

IUPAC1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H25F3N4O/c1-14-11-17(25-2)12-19(27-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-18(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyFVBGMVCGCLYUPI-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.98
Rot. Bonds5

About 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71655312) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71655312
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H25F3N4O/c1-14-11-17(25-2)12-19(27-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-18(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyFVBGMVCGCLYUPI-UHFFFAOYSA-N
XLogP3.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71655312) is 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CNc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FVBGMVCGCLYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-14-11-17(25-2)12-19(27-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-18(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71655312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).