(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

C26H22N4O2 — CID 118735787

IUPAC(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cn(-c2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12
InChIInChI=1S/C26H22N4O2/c27-16-18-17-30(20-5-2-1-3-6-20)25-13-12-22(15-23(18)25)32-21-10-8-19(9-11-21)29-26(31)24-7-4-14-28-24/h1-3,5-6,8-13,15,17,24,28H,4,7,14H2,(H,29,31)/t24-/m0/s1
InChIKeyYRJNEDUGTKEQSO-DEOSSOPVSA-N
MW422.49 g/mol
LogP4.98
Rot. Bonds5

About (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 118735787) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
PubChem CID118735787
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cn(-c2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12
InChIInChI=1S/C26H22N4O2/c27-16-18-17-30(20-5-2-1-3-6-20)25-13-12-22(15-23(18)25)32-21-10-8-19(9-11-21)29-26(31)24-7-4-14-28-24/h1-3,5-6,8-13,15,17,24,28H,4,7,14H2,(H,29,31)/t24-/m0/s1
InChIKeyYRJNEDUGTKEQSO-DEOSSOPVSA-N
XLogP4.98
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide (CID 118735787) is (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide is N#Cc1cn(-c2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12.
What is the InChIKey of (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is YRJNEDUGTKEQSO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-16-18-17-30(20-5-2-1-3-6-20)25-13-12-22(15-23(18)25)32-21-10-8-19(9-11-21)29-26(31)24-7-4-14-28-24/h1-3,5-6,8-13,15,17,24,28H,4,7,14H2,(H,29,31)/t24-/m0/s1.
What are the key properties of (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3-cyano-1-phenylindol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118735787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).