N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C18H17F3N6O — CID 139360877

About N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 139360877) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 139360877
• Molecular Formula: C18H17F3N6O
• Molecular Weight: 390.37 g/mol
• Exact Mass: 390.14
• IUPAC Name: N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: C[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2cccc(C(F)(F)F)n2)c1
• InChI: InChI=1S/C18H17F3N6O/c1-11(8-16-26-23-10-27(16)2)12-6-7-22-15(9-12)25-17(28)13-4-3-5-14(24-13)18(19,20)21/h3-7,9-11H,8H2,1-2H3,(H,22,25,28)/t11-/m1/s1
• InChIKey: MJBKPYCOBCMMJB-LLVKDONJSA-N
• XLogP: 3.22
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.37
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 139360877) is N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2cccc(C(F)(F)F)n2)c1.

What is the InChIKey of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is MJBKPYCOBCMMJB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-11(8-16-26-23-10-27(16)2)12-6-7-22-15(9-12)25-17(28)13-4-3-5-14(24-13)18(19,20)21/h3-7,9-11H,8H2,1-2H3,(H,22,25,28)/t11-/m1/s1.

What are the key properties of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139360877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).