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

C17H15N3O — CID 76979846

IUPACN-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O/c1-20(14-8-6-12(11-18)7-9-14)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10H2,1H3
InChIKeyRIKGZLAUTYROOM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.56
Rot. Bonds2

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

N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76979846) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76979846
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O/c1-20(14-8-6-12(11-18)7-9-14)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10H2,1H3
InChIKeyRIKGZLAUTYROOM-UHFFFAOYSA-N
XLogP2.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106737122
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017
N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 80566702
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107436389
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-methyl-N-(oxan-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76893380
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76979846) is N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(C(=O)C1Cc2ccccc2N1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is RIKGZLAUTYROOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(14-8-6-12(11-18)7-9-14)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76979846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).