7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide

C13H13N3O2 — CID 172970790

IUPAC7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1cc(C#N)c2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C13H13N3O2/c1-7(2)18-10-3-8-5-11(13(15)17)16-12(8)9(4-10)6-14/h3-5,7,16H,1-2H3,(H2,15,17)
InChIKeyBKCMQAZOINZFQY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds3

About 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide

7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide (PubChem CID 172970790) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide
PubChem CID172970790
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1cc(C#N)c2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C13H13N3O2/c1-7(2)18-10-3-8-5-11(13(15)17)16-12(8)9(4-10)6-14/h3-5,7,16H,1-2H3,(H2,15,17)
InChIKeyBKCMQAZOINZFQY-UHFFFAOYSA-N
XLogP1.93
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide?
The IUPAC name of 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide (CID 172970790) is 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide.
What is the SMILES notation for 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide?
The canonical SMILES for 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide is CC(C)Oc1cc(C#N)c2[nH]c(C(N)=O)cc2c1.
What is the InChIKey of 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide?
The InChIKey is BKCMQAZOINZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7(2)18-10-3-8-5-11(13(15)17)16-12(8)9(4-10)6-14/h3-5,7,16H,1-2H3,(H2,15,17).
What are the key properties of 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide?
7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-5-propan-2-yloxy-1H-indole-2-carboxamide is sourced from PubChem (CID 172970790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).