ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate

C13H20N4O3 — CID 110179536

IUPACethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC2CCOC2)nc1N
InChIInChI=1S/C13H20N4O3/c1-2-20-13(18)16-10-3-4-11(17-12(10)14)15-7-9-5-6-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyUDXVCDFUSQISSD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.68
Rot. Bonds5

About ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate

ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate (PubChem CID 110179536) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate
PubChem CID110179536
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC2CCOC2)nc1N
InChIInChI=1S/C13H20N4O3/c1-2-20-13(18)16-10-3-4-11(17-12(10)14)15-7-9-5-6-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,16,18)(H3,14,15,17)
InChIKeyUDXVCDFUSQISSD-UHFFFAOYSA-N
XLogP1.68
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate (CID 110179536) is ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCC2CCOC2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate?
The InChIKey is UDXVCDFUSQISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-20-13(18)16-10-3-4-11(17-12(10)14)15-7-9-5-6-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,16,18)(H3,14,15,17).
What are the key properties of ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-(oxolan-3-ylmethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110179536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).