2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile

C17H15N3 — CID 115146365

IUPAC2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile
SMILESCc1cccc(N(C)c2[nH]c3ccccc3c2C#N)c1
InChIInChI=1S/C17H15N3/c1-12-6-5-7-13(10-12)20(2)17-15(11-18)14-8-3-4-9-16(14)19-17/h3-10,19H,1-2H3
InChIKeyMDUKXEUTLYIDRE-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.12
Rot. Bonds2

About 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile

2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile (PubChem CID 115146365) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile
PubChem CID115146365
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile
SMILESCc1cccc(N(C)c2[nH]c3ccccc3c2C#N)c1
InChIInChI=1S/C17H15N3/c1-12-6-5-7-13(10-12)20(2)17-15(11-18)14-8-3-4-9-16(14)19-17/h3-10,19H,1-2H3
InChIKeyMDUKXEUTLYIDRE-UHFFFAOYSA-N
XLogP4.12
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile
CID 115146413
2-[methyl(1H-pyrrol-3-ylmethyl)amino]-1H-indole-3-carbonitrile
CID 115146409
N-methyl-N-(3-methylphenyl)-1H-benzimidazol-2-amine
CID 115143817
2-bromo-4-(N,3-dimethylanilino)benzonitrile
CID 107276249
3-N-methyl-3-N-(2-methyl-1H-indol-3-yl)benzene-1,3-diamine
CID 117040909
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
10-(3-methylphenyl)anthracene-9-carbonitrile
CID 170561667
CID 70331685
CID 70331685
4-(N,3-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 63510824
2-(N,3-dimethylanilino)-4-methoxybenzonitrile
CID 81299255
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-propoxy-1H-indole-3-carbonitrile
CID 142777137

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile (CID 115146365) is 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile is Cc1cccc(N(C)c2[nH]c3ccccc3c2C#N)c1.
What is the InChIKey of 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile?
The InChIKey is MDUKXEUTLYIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-6-5-7-13(10-12)20(2)17-15(11-18)14-8-3-4-9-16(14)19-17/h3-10,19H,1-2H3.
What are the key properties of 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile?
2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-dimethylanilino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).