tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid

C15H23N3O5 — CID 175990893

IUPACtert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid
SMILESCCOc1cnc(NC(=O)COC)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-6-23-11-8-16-12(17-13(19)9-22-5)7-10(11)18(14(20)21)15(2,3)4/h7-8H,6,9H2,1-5H3,(H,20,21)(H,16,17,19)
InChIKeyIICFBONLXSGYQM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.35
Rot. Bonds6

About tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid

tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid (PubChem CID 175990893) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid
PubChem CID175990893
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nametert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid
SMILESCCOc1cnc(NC(=O)COC)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-6-23-11-8-16-12(17-13(19)9-22-5)7-10(11)18(14(20)21)15(2,3)4/h7-8H,6,9H2,1-5H3,(H,20,21)(H,16,17,19)
InChIKeyIICFBONLXSGYQM-UHFFFAOYSA-N
XLogP2.35
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
CID 170730862
[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid
CID 175990670
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide
CID 95968893
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
CID 119214277
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
2-methoxy-N-(thiadiazol-5-yl)acetamide
CID 102707085

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid?
The IUPAC name of tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid (CID 175990893) is tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid.
What is the SMILES notation for tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid?
The canonical SMILES for tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid is CCOc1cnc(NC(=O)COC)cc1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid?
The InChIKey is IICFBONLXSGYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-6-23-11-8-16-12(17-13(19)9-22-5)7-10(11)18(14(20)21)15(2,3)4/h7-8H,6,9H2,1-5H3,(H,20,21)(H,16,17,19).
What are the key properties of tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid?
tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid has a molecular weight of 325.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 175990893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).