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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Related Compounds

Methyl 3-[(4-acetyloxybenzoyl)-pyridin-2-ylamino]propanoate
CID 2918735
N-(2-furylmethyl)-2-(4-methylphenoxy)-N-(2-pyridyl)acetamide
CID 16015803
3-Benzyl-1,5-dimethyl-6-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 44371037
3-Benzyl-1,5-dimethyl-6-propoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 44371143
ethyl 2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetate
CID 20879748
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide
CID 71624814
methyl 6-{(3aS*,6aR*)-3-[2-(4-methoxyphenyl)ethyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}nicotinate
CID 25385348
6-[(4-Methoxyphenyl)methylamino]pyridine-3-carbaldehyde
CID 146162549
{2-[(4-Methoxybenzyl)amino]pyridin-3-yl}(morpholin-4-yl)methanone
CID 16766199
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 25467091
(6-Fluoro-5-formyl-pyridin-2-yl)-(6-methoxy-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
CID 57619209
tert-butyl N-[[2-(difluoromethoxy)phenyl]methyl]-N-(5-formylpyridin-2-yl)carbamate
CID 57619290

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).