2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide

C15H17N3O — CID 115188570

IUPAC2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-10(2)12(8-16)15(19)18(3)14-9-17-13-7-5-4-6-11(13)14/h4-7,9-10,12,17H,1-3H3
InChIKeyDTYMHYYGMTWVBV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.93
Rot. Bonds3

About 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide

2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide (PubChem CID 115188570) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
PubChem CID115188570
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-10(2)12(8-16)15(19)18(3)14-9-17-13-7-5-4-6-11(13)14/h4-7,9-10,12,17H,1-3H3
InChIKeyDTYMHYYGMTWVBV-UHFFFAOYSA-N
XLogP2.93
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
2-[[1H-indol-3-yl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250269
4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
CID 115160993
methyl (2S)-2-[bis(1H-indol-3-yl)carbamoyl]butanoate
CID 174588214
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
1,1-bis(1H-indol-3-yl)urea
CID 57486091
[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide (CID 115188570) is 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide is CC(C)C(C#N)C(=O)N(C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide?
The InChIKey is DTYMHYYGMTWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)12(8-16)15(19)18(3)14-9-17-13-7-5-4-6-11(13)14/h4-7,9-10,12,17H,1-3H3.
What are the key properties of 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide?
2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide has a molecular weight of 255.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115188570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).