2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide

C24H28N4O2 — CID 143751475

IUPAC2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1.COCCNc1ccc2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C12H15N3O2.C12H13N/c1-17-5-4-14-9-2-3-10-8(6-9)7-11(15-10)12(13)16;1-12(2)6-10-4-3-9(8-13)5-11(10)7-12/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);3-5H,6-7H2,1-2H3
InChIKeyJKHCFUAHSTYCNJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.01
Rot. Bonds5

About 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide

2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide (PubChem CID 143751475) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide
PubChem CID143751475
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1.COCCNc1ccc2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C12H15N3O2.C12H13N/c1-17-5-4-14-9-2-3-10-8(6-9)7-11(15-10)12(13)16;1-12(2)6-10-4-3-9(8-13)5-11(10)7-12/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);3-5H,6-7H2,1-2H3
InChIKeyJKHCFUAHSTYCNJ-UHFFFAOYSA-N
XLogP4.01
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
CID 143751482
N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide
CID 25174432
ethyl 5-[(5-cyano-1H-indole-2-carbonyl)amino]pentanoate
CID 10805139
ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-5-fluoro-1H-indole-2-carboxamide
CID 174407394
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
ethyl 2-[4-[(5-cyano-1H-indole-2-carbonyl)amino]butanoylamino]acetate
CID 10618238
methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 24967591
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
methyl 2-[(1R)-5-cyano-1-methyl-2,3-dihydroinden-1-yl]acetate
CID 154430640
N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide
CID 143751470

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide?
The IUPAC name of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide (CID 143751475) is 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide is CC1(C)Cc2ccc(C#N)cc2C1.COCCNc1ccc2[nH]c(C(N)=O)cc2c1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide?
The InChIKey is JKHCFUAHSTYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C12H13N/c1-17-5-4-14-9-2-3-10-8(6-9)7-11(15-10)12(13)16;1-12(2)6-10-4-3-9(8-13)5-11(10)7-12/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);3-5H,6-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide?
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 143751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).