ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate

C20H20FN3O5 — CID 59535633

IUPACethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
SMILESCCOC(=O)N(CCCOC)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C20H20FN3O5/c1-3-28-20(26)24(10-5-11-27-2)16-14-6-4-9-22-19(14)29-18(16)17(25)13-7-8-15(21)23-12-13/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyFLYCRPDCBXBZEY-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.59
Rot. Bonds8

About ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate

ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate (PubChem CID 59535633) has the molecular formula C20H20FN3O5 and a molecular weight of 401.39 g/mol. Its IUPAC name is ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
PubChem CID59535633
Molecular FormulaC20H20FN3O5
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Nameethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
SMILESCCOC(=O)N(CCCOC)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C20H20FN3O5/c1-3-28-20(26)24(10-5-11-27-2)16-14-6-4-9-22-19(14)29-18(16)17(25)13-7-8-15(21)23-12-13/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyFLYCRPDCBXBZEY-UHFFFAOYSA-N
XLogP3.59
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The IUPAC name of ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate (CID 59535633) is ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate.
What is the SMILES notation for ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The canonical SMILES for ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate is CCOC(=O)N(CCCOC)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12.
What is the InChIKey of ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The InChIKey is FLYCRPDCBXBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5/c1-3-28-20(26)24(10-5-11-27-2)16-14-6-4-9-22-19(14)29-18(16)17(25)13-7-8-15(21)23-12-13/h4,6-9,12H,3,5,10-11H2,1-2H3.
What are the key properties of ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate has a molecular weight of 401.39 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 59535633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).