[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate

C17H21N3O5 — CID 121347123

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate
SMILESO=C(NN1CCCOC1=O)Oc1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C17H21N3O5/c21-16(19-20-8-1-9-23-17(20)22)25-14-7-6-13(12-4-5-12)15(18-14)24-10-11-2-3-11/h6-7,11-12H,1-5,8-10H2,(H,19,21)
InChIKeyLVIPSSJKGYLIMW-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.59
Rot. Bonds6

About [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate (PubChem CID 121347123) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate
PubChem CID121347123
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate
SMILESO=C(NN1CCCOC1=O)Oc1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C17H21N3O5/c21-16(19-20-8-1-9-23-17(20)22)25-14-7-6-13(12-4-5-12)15(18-14)24-10-11-2-3-11/h6-7,11-12H,1-5,8-10H2,(H,19,21)
InChIKeyLVIPSSJKGYLIMW-UHFFFAOYSA-N
XLogP2.59
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate (CID 121347123) is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate is O=C(NN1CCCOC1=O)Oc1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate?
The InChIKey is LVIPSSJKGYLIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c21-16(19-20-8-1-9-23-17(20)22)25-14-7-6-13(12-4-5-12)15(18-14)24-10-11-2-3-11/h6-7,11-12H,1-5,8-10H2,(H,19,21).
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate?
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate has a molecular weight of 347.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate is sourced from PubChem (CID 121347123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).