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[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate

C20H24N4O4 — CID 121347109

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCc1nc(C(NC(=O)Oc2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C20H24N4O4/c1-11-21-18(24-28-11)17(14-6-7-14)23-20(25)27-16-9-8-15(13-4-5-13)19(22-16)26-10-12-2-3-12/h8-9,12-14,17H,2-7,10H2,1H3,(H,23,25)
InChIKeyZDFYCYGHVORUSF-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.68
Rot. Bonds8

About [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate (PubChem CID 121347109) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
PubChem CID121347109
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCc1nc(C(NC(=O)Oc2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C20H24N4O4/c1-11-21-18(24-28-11)17(14-6-7-14)23-20(25)27-16-9-8-15(13-4-5-13)19(22-16)26-10-12-2-3-12/h8-9,12-14,17H,2-7,10H2,1H3,(H,23,25)
InChIKeyZDFYCYGHVORUSF-UHFFFAOYSA-N
XLogP3.68
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate (CID 121347109) is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate is Cc1nc(C(NC(=O)Oc2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The InChIKey is ZDFYCYGHVORUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-11-21-18(24-28-11)17(14-6-7-14)23-20(25)27-16-9-8-15(13-4-5-13)19(22-16)26-10-12-2-3-12/h8-9,12-14,17H,2-7,10H2,1H3,(H,23,25).
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate has a molecular weight of 384.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate is sourced from PubChem (CID 121347109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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