tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate

C15H23N3O5 — CID 170730862

IUPACtert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
SMILESCCOc1cnc(NC(=O)COC)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-6-22-11-8-16-12(18-13(19)9-21-5)7-10(11)17-14(20)23-15(2,3)4/h7-8H,6,9H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyWHUPZYYLQFXTRD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.41
Rot. Bonds6

About tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate

tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate (PubChem CID 170730862) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
PubChem CID170730862
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nametert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
SMILESCCOc1cnc(NC(=O)COC)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-6-22-11-8-16-12(18-13(19)9-21-5)7-10(11)17-14(20)23-15(2,3)4/h7-8H,6,9H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyWHUPZYYLQFXTRD-UHFFFAOYSA-N
XLogP2.41
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid
CID 175990893
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
CID 170731023
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
CID 155114586
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[5-methoxy-2-(4-methylsulfonylbut-1-ynyl)-4-pyridinyl]carbamate
CID 155166502
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 67357244
tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
CID 136562269
tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
CID 67361421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate (CID 170730862) is tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate is CCOc1cnc(NC(=O)COC)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate?
The InChIKey is WHUPZYYLQFXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-6-22-11-8-16-12(18-13(19)9-21-5)7-10(11)17-14(20)23-15(2,3)4/h7-8H,6,9H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate?
tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate is sourced from PubChem (CID 170730862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).