tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate

C17H28N2O4 — CID 14171870

IUPACtert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCCN(CC)C(=O)OC1=C(C)N(C(=O)OC(C)(C)C)C=CC1C
InChIInChI=1S/C17H28N2O4/c1-8-18(9-2)15(20)22-14-12(3)10-11-19(13(14)4)16(21)23-17(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyYPZPDWVMDJXSEV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate

tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate (PubChem CID 14171870) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate
PubChem CID14171870
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCCN(CC)C(=O)OC1=C(C)N(C(=O)OC(C)(C)C)C=CC1C
InChIInChI=1S/C17H28N2O4/c1-8-18(9-2)15(20)22-14-12(3)10-11-19(13(14)4)16(21)23-17(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyYPZPDWVMDJXSEV-UHFFFAOYSA-N
XLogP4.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-formyl-2,4-dimethyl-4H-pyridine-1-carboxylate
CID 14171875
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl 2,5-dimethyl-2,5-dihydropyrrole-1-carboxylate
CID 133054170
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl 4-[[3,4-dichloro-6-(diethylcarbamoyloxy)-2-fluorophenyl]methyl]piperidine-1-carboxylate
CID 156723247
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 119029022
tert-butyl 3-[[(3,5-difluorophenyl)carbamoyl-ethylamino]methyl]-3,4-dimethylpyrrolidine-1-carboxylate
CID 134459035
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate (CID 14171870) is tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate is CCN(CC)C(=O)OC1=C(C)N(C(=O)OC(C)(C)C)C=CC1C.
What is the InChIKey of tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate?
The InChIKey is YPZPDWVMDJXSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-8-18(9-2)15(20)22-14-12(3)10-11-19(13(14)4)16(21)23-17(5,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate?
tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(diethylcarbamoyloxy)-2,4-dimethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 14171870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).