N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide

C18H15N3O — CID 110864766

IUPACN-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(C)c2c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15N3O/c1-11-5-3-8-15-16(11)17(12(2)20-15)18(22)21-14-7-4-6-13(9-14)10-19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyXDHSNRAIPAYAPP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.91
Rot. Bonds2

About N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide

N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide (PubChem CID 110864766) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
PubChem CID110864766
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(C)c2c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15N3O/c1-11-5-3-8-15-16(11)17(12(2)20-15)18(22)21-14-7-4-6-13(9-14)10-19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyXDHSNRAIPAYAPP-UHFFFAOYSA-N
XLogP3.91
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110861432
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861279
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110684044
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
CID 110695121
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624352
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide (CID 110864766) is N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide is Cc1[nH]c2cccc(C)c2c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide?
The InChIKey is XDHSNRAIPAYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-5-3-8-15-16(11)17(12(2)20-15)18(22)21-14-7-4-6-13(9-14)10-19/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide?
N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110864766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).