5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide

C21H21N3O3 — CID 174521976

IUPAC5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(=O)N(C=O)C=O)c3[nH]ccc3c2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-23(4-2)18-7-5-15(6-8-18)17-11-16-9-10-22-20(16)19(12-17)21(27)24(13-25)14-26/h5-14,22H,3-4H2,1-2H3
InChIKeyPZZIYHYBBXJIMA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.44
Rot. Bonds7

About 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide

5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide (PubChem CID 174521976) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide
PubChem CID174521976
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(=O)N(C=O)C=O)c3[nH]ccc3c2)cc1
InChIInChI=1S/C21H21N3O3/c1-3-23(4-2)18-7-5-15(6-8-18)17-11-16-9-10-22-20(16)19(12-17)21(27)24(13-25)14-26/h5-14,22H,3-4H2,1-2H3
InChIKeyPZZIYHYBBXJIMA-UHFFFAOYSA-N
XLogP3.44
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide?
The IUPAC name of 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide (CID 174521976) is 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide is CCN(CC)c1ccc(-c2cc(C(=O)N(C=O)C=O)c3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide?
The InChIKey is PZZIYHYBBXJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-23(4-2)18-7-5-15(6-8-18)17-11-16-9-10-22-20(16)19(12-17)21(27)24(13-25)14-26/h5-14,22H,3-4H2,1-2H3.
What are the key properties of 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide?
5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)phenyl]-N,N-diformyl-1H-indole-7-carboxamide is sourced from PubChem (CID 174521976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).