5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide

C25H29N5O2 — CID 148642803

IUPAC5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1=Cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2C1
InChIInChI=1S/C25H29N5O2/c1-3-30(4-2)10-9-27-24(31)19-11-16-5-7-21(14-17(16)12-19)28-25(32)23-15-18-13-20(26)6-8-22(18)29-23/h5-8,12-15,29H,3-4,9-11,26H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNKJDEPUNTIXFTR-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.40
Rot. Bonds8

About 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide

5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide (PubChem CID 148642803) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide
PubChem CID148642803
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1=Cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2C1
InChIInChI=1S/C25H29N5O2/c1-3-30(4-2)10-9-27-24(31)19-11-16-5-7-21(14-17(16)12-19)28-25(32)23-15-18-13-20(26)6-8-22(18)29-23/h5-8,12-15,29H,3-4,9-11,26H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNKJDEPUNTIXFTR-UHFFFAOYSA-N
XLogP3.40
TPSA103.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide (CID 148642803) is 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide is CCN(CC)CCNC(=O)C1=Cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2C1.
What is the InChIKey of 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide?
The InChIKey is NKJDEPUNTIXFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-30(4-2)10-9-27-24(31)19-11-16-5-7-21(14-17(16)12-19)28-25(32)23-15-18-13-20(26)6-8-22(18)29-23/h5-8,12-15,29H,3-4,9-11,26H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide?
5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-inden-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 148642803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).