tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate

C20H24N2O5 — CID 58259284

IUPACtert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C=O)cc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(24)22(12-14-6-8-16(25-4)9-7-14)18-17(26-5)10-15(13-23)11-21-18/h6-11,13H,12H2,1-5H3
InChIKeyHOERLRSSZKQLOW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 58259284) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID58259284
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nametert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C=O)cc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(24)22(12-14-6-8-16(25-4)9-7-14)18-17(26-5)10-15(13-23)11-21-18/h6-11,13H,12H2,1-5H3
InChIKeyHOERLRSSZKQLOW-UHFFFAOYSA-N
XLogP3.85
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate (CID 58259284) is tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C=O)cc2OC)cc1.
What is the InChIKey of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is HOERLRSSZKQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2,3)27-19(24)22(12-14-6-8-16(25-4)9-7-14)18-17(26-5)10-15(13-23)11-21-18/h6-11,13H,12H2,1-5H3.
What are the key properties of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate?
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 58259284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).