N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide

C22H19N3O2 — CID 143751470

IUPACN-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1/C=N/C(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C22H19N3O2/c1-22(2)10-14-4-3-13(11-23)7-17(14)18(22)12-24-21(27)20-9-15-8-16(26)5-6-19(15)25-20/h3-9,12,18,25-26H,10H2,1-2H3/b24-12+
InChIKeyGWDOOTOFZHGRMU-WYMPLXKRSA-N
MW357.41 g/mol
LogP4.32
Rot. Bonds2

About N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide

N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide (PubChem CID 143751470) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide
PubChem CID143751470
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide
SMILESCC1(C)Cc2ccc(C#N)cc2C1/C=N/C(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C22H19N3O2/c1-22(2)10-14-4-3-13(11-23)7-17(14)18(22)12-24-21(27)20-9-15-8-16(26)5-6-19(15)25-20/h3-9,12,18,25-26H,10H2,1-2H3/b24-12+
InChIKeyGWDOOTOFZHGRMU-WYMPLXKRSA-N
XLogP4.32
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-5-fluoro-1H-indole-2-carboxamide
CID 25174432
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
CID 143751482
(2S,3S)-2-formyl-2,3-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 143493984
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;5-(2-methoxyethylamino)-1H-indole-2-carboxamide
CID 143751475
ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
CID 54111455
5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide (CID 143751470) is N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide is CC1(C)Cc2ccc(C#N)cc2C1/C=N/C(=O)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide?
The InChIKey is GWDOOTOFZHGRMU-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-22(2)10-14-4-3-13(11-23)7-17(14)18(22)12-24-21(27)20-9-15-8-16(26)5-6-19(15)25-20/h3-9,12,18,25-26H,10H2,1-2H3/b24-12+.
What are the key properties of N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide?
N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl)methylidene]-5-hydroxy-1H-indole-2-carboxamide is sourced from PubChem (CID 143751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).