5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C20H17N3O2 — CID 90415225

IUPAC5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccc3cc[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C20H17N3O2/c1-12-16(20(21)24)11-18(23-12)15-4-2-3-5-19(15)25-14-7-6-13-8-9-22-17(13)10-14/h2-11,22-23H,1H3,(H2,21,24)
InChIKeyYZJHVVHJGCWEMQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.36
Rot. Bonds4

About 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90415225) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90415225
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccc3cc[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C20H17N3O2/c1-12-16(20(21)24)11-18(23-12)15-4-2-3-5-19(15)25-14-7-6-13-8-9-22-17(13)10-14/h2-11,22-23H,1H3,(H2,21,24)
InChIKeyYZJHVVHJGCWEMQ-UHFFFAOYSA-N
XLogP4.36
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 90415225) is 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2Oc2ccc3cc[nH]c3c2)cc1C(N)=O.
What is the InChIKey of 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is YZJHVVHJGCWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-16(20(21)24)11-18(23-12)15-4-2-3-5-19(15)25-14-7-6-13-8-9-22-17(13)10-14/h2-11,22-23H,1H3,(H2,21,24).
What are the key properties of 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90415225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).