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

C20H20F3N5O — CID 139360658

IUPACN-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H20F3N5O/c1-19(2,11-17-27-24-12-28(17)3)13-6-4-7-14(10-13)25-18(29)15-8-5-9-16(26-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,25,29)
InChIKeyZQQRBZISYOTWQJ-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.00
Rot. Bonds5

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

N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 139360658) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID139360658
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H20F3N5O/c1-19(2,11-17-27-24-12-28(17)3)13-6-4-7-14(10-13)25-18(29)15-8-5-9-16(26-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,25,29)
InChIKeyZQQRBZISYOTWQJ-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 139360658) is N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZQQRBZISYOTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-19(2,11-17-27-24-12-28(17)3)13-6-4-7-14(10-13)25-18(29)15-8-5-9-16(26-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139360658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).