ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate

C12H18N4O3 — CID 110178440

IUPACethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1ccc(N2CCOCC2)nc1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(17)14-9-3-4-10(15-11(9)13)16-5-7-18-8-6-16/h3-4H,2,5-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyQGXVYZPEHWFVOQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.07
Rot. Bonds3

About ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate

ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate (PubChem CID 110178440) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate
PubChem CID110178440
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1ccc(N2CCOCC2)nc1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(17)14-9-3-4-10(15-11(9)13)16-5-7-18-8-6-16/h3-4H,2,5-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyQGXVYZPEHWFVOQ-UHFFFAOYSA-N
XLogP1.07
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate?
The IUPAC name of ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate (CID 110178440) is ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate is CCOC(=O)Nc1ccc(N2CCOCC2)nc1N.
What is the InChIKey of ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate?
The InChIKey is QGXVYZPEHWFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(17)14-9-3-4-10(15-11(9)13)16-5-7-18-8-6-16/h3-4H,2,5-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate?
ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-amino-6-morpholin-4-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 110178440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).