6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C19H24N2O2 — CID 121252343

IUPAC6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(N)=O)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22)
InChIKeyJRVIZLFPDYXIRY-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.20
Rot. Bonds3

About 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121252343) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121252343
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(N)=O)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22)
InChIKeyJRVIZLFPDYXIRY-UHFFFAOYSA-N
XLogP4.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121252343) is 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(N)=O)c(C)c1.
What is the InChIKey of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is JRVIZLFPDYXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22).
What are the key properties of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121252343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).