N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide

C21H24F3N3O2 — CID 58533723

IUPACN-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H24F3N3O2/c1-14(15-5-3-2-4-6-15)27-20(28)16-7-8-18(26-10-16)13-29-19-9-17(11-25-12-19)21(22,23)24/h7-12,14-15H,2-6,13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyGDOKHIRQWFBDLZ-CQSZACIVSA-N
MW407.44 g/mol
LogP4.77
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide (PubChem CID 58533723) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
PubChem CID58533723
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H24F3N3O2/c1-14(15-5-3-2-4-6-15)27-20(28)16-7-8-18(26-10-16)13-29-19-9-17(11-25-12-19)21(22,23)24/h7-12,14-15H,2-6,13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyGDOKHIRQWFBDLZ-CQSZACIVSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide (CID 58533723) is N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is GDOKHIRQWFBDLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-14(15-5-3-2-4-6-15)27-20(28)16-7-8-18(26-10-16)13-29-19-9-17(11-25-12-19)21(22,23)24/h7-12,14-15H,2-6,13H2,1H3,(H,27,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58533723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).