tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate

C22H23NO2 — CID 11858652

IUPACtert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)=CCC=C1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-22(2,3)25-21(24)23-19(17-11-6-4-7-12-17)15-10-16-20(23)18-13-8-5-9-14-18/h4-9,11-16H,10H2,1-3H3
InChIKeyHRCPGAVEPYMEEX-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.71
Rot. Bonds2

About tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate

tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate (PubChem CID 11858652) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
PubChem CID11858652
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nametert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)=CCC=C1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-22(2,3)25-21(24)23-19(17-11-6-4-7-12-17)15-10-16-20(23)18-13-8-5-9-14-18/h4-9,11-16H,10H2,1-3H3
InChIKeyHRCPGAVEPYMEEX-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
tert-butyl 3-phenyl-1,4-benzothiazine-4-carboxylate
CID 135005228
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
tert-butyl 7-phenyl-9-thiophen-2-yl-8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
CID 11850858
tert-butyl 4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepine-5-carboxylate
CID 132936879
tert-butyl 2-formyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
CID 16733346
tert-butyl 2-ethenyl-3,5-diphenyl-1,4-oxazine-4-carboxylate
CID 16733689
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl 2,6-bis(ethenyl)-4H-pyridine-1-carboxylate
CID 86054918
tert-butyl 3-phenylpyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 135008725
tert-butyl 5-(4-phenoxyphenyl)-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 86680675
tert-butyl 3-methyl-4-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 11345968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate (CID 11858652) is tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C(c2ccccc2)=CCC=C1c1ccccc1.
What is the InChIKey of tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate?
The InChIKey is HRCPGAVEPYMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-22(2,3)25-21(24)23-19(17-11-6-4-7-12-17)15-10-16-20(23)18-13-8-5-9-14-18/h4-9,11-16H,10H2,1-3H3.
What are the key properties of tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate?
tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 11858652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).