(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C12H17N3O5 — CID 67691049

IUPAC(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCOc1cnc(OC(=O)NC(=O)CN)c(OCC)c1
InChIInChI=1S/C12H17N3O5/c1-3-18-8-5-9(19-4-2)11(14-7-8)20-12(17)15-10(16)6-13/h5,7H,3-4,6,13H2,1-2H3,(H,15,16,17)
InChIKeyIJEBRHJRIOMRAT-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.45
Rot. Bonds6

About (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 67691049) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID67691049
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCOc1cnc(OC(=O)NC(=O)CN)c(OCC)c1
InChIInChI=1S/C12H17N3O5/c1-3-18-8-5-9(19-4-2)11(14-7-8)20-12(17)15-10(16)6-13/h5,7H,3-4,6,13H2,1-2H3,(H,15,16,17)
InChIKeyIJEBRHJRIOMRAT-UHFFFAOYSA-N
XLogP0.45
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
CID 67691309
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxylate
CID 67690951
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-chlorophenyl)methoxy]pyridine-3-carboxylate
CID 67690914
(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363701
(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363708
[6-[bis(2-aminoacetyl)carbamoyloxy]-5-(2-methylpropoxy)-3-pyridinyl] N,N-bis(2-aminoacetyl)carbamate
CID 67690973
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
2,4-diethoxybenzamide
CID 17145726
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
(2,4,6-triethoxyphenyl)methanamine
CID 95421482
3-bromo-5-ethoxypyridin-2-amine
CID 146405425

Frequently Asked Questions

What is the IUPAC name of (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 67691049) is (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCOc1cnc(OC(=O)NC(=O)CN)c(OCC)c1.
What is the InChIKey of (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is IJEBRHJRIOMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-18-8-5-9(19-4-2)11(14-7-8)20-12(17)15-10(16)6-13/h5,7H,3-4,6,13H2,1-2H3,(H,15,16,17).
What are the key properties of (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 283.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 67691049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).