5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide

C22H15N3O4 — CID 175282638

IUPAC5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide
SMILESO=Cc1cc2c(cc1-c1ccc3[nH]cc(C(=O)Nc4ccncc4)c3c1)OCO2
InChIInChI=1S/C22H15N3O4/c26-11-14-8-20-21(29-12-28-20)9-16(14)13-1-2-19-17(7-13)18(10-24-19)22(27)25-15-3-5-23-6-4-15/h1-11,24H,12H2,(H,23,25,27)
InChIKeyUJSXBXRIFXMFLG-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.02
Rot. Bonds4

About 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide

5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide (PubChem CID 175282638) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide
PubChem CID175282638
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide
SMILESO=Cc1cc2c(cc1-c1ccc3[nH]cc(C(=O)Nc4ccncc4)c3c1)OCO2
InChIInChI=1S/C22H15N3O4/c26-11-14-8-20-21(29-12-28-20)9-16(14)13-1-2-19-17(7-13)18(10-24-19)22(27)25-15-3-5-23-6-4-15/h1-11,24H,12H2,(H,23,25,27)
InChIKeyUJSXBXRIFXMFLG-UHFFFAOYSA-N
XLogP4.02
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide (CID 175282638) is 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide is O=Cc1cc2c(cc1-c1ccc3[nH]cc(C(=O)Nc4ccncc4)c3c1)OCO2.
What is the InChIKey of 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide?
The InChIKey is UJSXBXRIFXMFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-11-14-8-20-21(29-12-28-20)9-16(14)13-1-2-19-17(7-13)18(10-24-19)22(27)25-15-3-5-23-6-4-15/h1-11,24H,12H2,(H,23,25,27).
What are the key properties of 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide?
5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-formyl-1,3-benzodioxol-5-yl)-N-pyridin-4-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 175282638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).