N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide

C25H18N4O2 — CID 18617847

IUPACN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide
SMILESN#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cc5cnccc5o4)cc3)cc12
InChIInChI=1S/C25H18N4O2/c26-13-20-15-29-22-6-1-16(11-21(20)22)7-10-28-25(30)18-4-2-17(3-5-18)24-12-19-14-27-9-8-23(19)31-24/h1-6,8-9,11-12,14-15,29H,7,10H2,(H,28,30)
InChIKeyPETJSVJDJGFQMC-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.82
Rot. Bonds5

About N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide

N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide (PubChem CID 18617847) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide
PubChem CID18617847
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC NameN-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide
SMILESN#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cc5cnccc5o4)cc3)cc12
InChIInChI=1S/C25H18N4O2/c26-13-20-15-29-22-6-1-16(11-21(20)22)7-10-28-25(30)18-4-2-17(3-5-18)24-12-19-14-27-9-8-23(19)31-24/h1-6,8-9,11-12,14-15,29H,7,10H2,(H,28,30)
InChIKeyPETJSVJDJGFQMC-UHFFFAOYSA-N
XLogP4.82
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide (CID 18617847) is N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide is N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cc5cnccc5o4)cc3)cc12.
What is the InChIKey of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide?
The InChIKey is PETJSVJDJGFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c26-13-20-15-29-22-6-1-16(11-21(20)22)7-10-28-25(30)18-4-2-17(3-5-18)24-12-19-14-27-9-8-23(19)31-24/h1-6,8-9,11-12,14-15,29H,7,10H2,(H,28,30).
What are the key properties of N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide?
N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide has a molecular weight of 406.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-furo[3,2-c]pyridin-2-ylbenzamide is sourced from PubChem (CID 18617847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).