N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C15H19F3N2O2 — CID 90204122

IUPACN-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1
InChIInChI=1S/C15H19F3N2O2/c1-14(2,3)20-13(21)11-6-12(22-8-15(16,17)18)10(7-19-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyVXPVFWWQKMECHG-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.43
Rot. Bonds4

About N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 90204122) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID90204122
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1
InChIInChI=1S/C15H19F3N2O2/c1-14(2,3)20-13(21)11-6-12(22-8-15(16,17)18)10(7-19-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyVXPVFWWQKMECHG-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 90204122) is N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is VXPVFWWQKMECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-14(2,3)20-13(21)11-6-12(22-8-15(16,17)18)10(7-19-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90204122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).