[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate

C18H26N2O4 — CID 121347296

IUPAC[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)20-17(21)24-15-9-8-14(12-6-7-12)16(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDBQSTJZPPKLYSD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.40
Rot. Bonds5

About [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate

[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate (PubChem CID 121347296) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
PubChem CID121347296
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)20-17(21)24-15-9-8-14(12-6-7-12)16(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDBQSTJZPPKLYSD-UHFFFAOYSA-N
XLogP3.40
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate
CID 121347123
3-bromo-N-tert-butyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 41280671
N-[3-(2-amino-2-oxoethyl)-2,4-dioxothietan-3-yl]-5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
CID 90202406
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
CID 68801079
N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
CID 47065380
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
CID 131992608
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
[5-cyclopropyl-6-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]oxy-2-pyridinyl] N-[3-(methylcarbamoyl)pentan-3-yl]carbamate
CID 121347157
N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide
CID 24958018

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate?
The IUPAC name of [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate (CID 121347296) is [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate.
What is the SMILES notation for [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate?
The canonical SMILES for [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccc(C2CC2)c(OCC2CCCO2)n1.
What is the InChIKey of [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate?
The InChIKey is DBQSTJZPPKLYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)20-17(21)24-15-9-8-14(12-6-7-12)16(19-15)23-11-13-5-4-10-22-13/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate?
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate has a molecular weight of 334.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate is sourced from PubChem (CID 121347296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).