butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate

C14H20N2O3 — CID 142668388

IUPACbutyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
SMILESCCCCOC(=O)NC1(COc2cccnc2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-18-13(17)16-14(6-7-14)11-19-12-5-4-8-15-10-12/h4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,16,17)
InChIKeyQNXQELXBYOJWAG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.52
Rot. Bonds7

About butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate

butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate (PubChem CID 142668388) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
PubChem CID142668388
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebutyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
SMILESCCCCOC(=O)NC1(COc2cccnc2)CC1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-18-13(17)16-14(6-7-14)11-19-12-5-4-8-15-10-12/h4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,16,17)
InChIKeyQNXQELXBYOJWAG-UHFFFAOYSA-N
XLogP2.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate?
The IUPAC name of butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate (CID 142668388) is butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate.
What is the SMILES notation for butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate?
The canonical SMILES for butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate is CCCCOC(=O)NC1(COc2cccnc2)CC1.
What is the InChIKey of butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate?
The InChIKey is QNXQELXBYOJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-9-18-13(17)16-14(6-7-14)11-19-12-5-4-8-15-10-12/h4-5,8,10H,2-3,6-7,9,11H2,1H3,(H,16,17).
What are the key properties of butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate?
butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 142668388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).