N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide

C17H23F3N2O2 — CID 90203497

IUPACN-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(Oc1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-10(17(18,19)20)24-14-12(11-6-7-11)8-9-13(21-14)15(23)22(5)16(2,3)4/h8-11H,6-7H2,1-5H3
InChIKeyOODRJGSRBPRQHH-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.16
Rot. Bonds4

About N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide

N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide (PubChem CID 90203497) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
PubChem CID90203497
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(Oc1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-10(17(18,19)20)24-14-12(11-6-7-11)8-9-13(21-14)15(23)22(5)16(2,3)4/h8-11H,6-7H2,1-5H3
InChIKeyOODRJGSRBPRQHH-UHFFFAOYSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide (CID 90203497) is N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide is CC(Oc1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1)C(F)(F)F.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is OODRJGSRBPRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-10(17(18,19)20)24-14-12(11-6-7-11)8-9-13(21-14)15(23)22(5)16(2,3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 90203497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).