2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate

C16H12ClN3O3 — CID 118588868

IUPAC2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate
SMILESN#Cc1ccc(CNC(=O)OC2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-6-10(7-18)3-4-11(13)8-20-16(21)23-14-9-22-15-12(14)2-1-5-19-15/h1-6,14H,8-9H2,(H,20,21)
InChIKeyXPRXXZCDDONPRB-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.97
Rot. Bonds3

About 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate (PubChem CID 118588868) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate
PubChem CID118588868
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate
SMILESN#Cc1ccc(CNC(=O)OC2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-6-10(7-18)3-4-11(13)8-20-16(21)23-14-9-22-15-12(14)2-1-5-19-15/h1-6,14H,8-9H2,(H,20,21)
InChIKeyXPRXXZCDDONPRB-UHFFFAOYSA-N
XLogP2.97
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate?
The IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate (CID 118588868) is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate?
The canonical SMILES for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate is N#Cc1ccc(CNC(=O)OC2COc3ncccc32)c(Cl)c1.
What is the InChIKey of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate?
The InChIKey is XPRXXZCDDONPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-13-6-10(7-18)3-4-11(13)8-20-16(21)23-14-9-22-15-12(14)2-1-5-19-15/h1-6,14H,8-9H2,(H,20,21).
What are the key properties of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate?
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate has a molecular weight of 329.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate is sourced from PubChem (CID 118588868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).