3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide

C25H29N3O — CID 144782943

IUPAC3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide
SMILESCCCC(CCC)c1cn(C)c2ccc(NC(=O)c3cccc(C#N)c3)c(C)c12
InChIInChI=1S/C25H29N3O/c1-5-8-19(9-6-2)21-16-28(4)23-13-12-22(17(3)24(21)23)27-25(29)20-11-7-10-18(14-20)15-26/h7,10-14,16,19H,5-6,8-9H2,1-4H3,(H,27,29)
InChIKeyCYLBGCXCXPBVEC-UHFFFAOYSA-N
MW387.53 g/mol
LogP6.29
Rot. Bonds7

About 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide

3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide (PubChem CID 144782943) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide
PubChem CID144782943
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide
SMILESCCCC(CCC)c1cn(C)c2ccc(NC(=O)c3cccc(C#N)c3)c(C)c12
InChIInChI=1S/C25H29N3O/c1-5-8-19(9-6-2)21-16-28(4)23-13-12-22(17(3)24(21)23)27-25(29)20-11-7-10-18(14-20)15-26/h7,10-14,16,19H,5-6,8-9H2,1-4H3,(H,27,29)
InChIKeyCYLBGCXCXPBVEC-UHFFFAOYSA-N
XLogP6.29
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide;1-(5-methyl-3,4-dihydro-2H-1,4-oxazin-6-yl)propan-1-one
CID 144782986
3-cyano-N-[1,4-dimethyl-3-[1-[(3R)-4,4,4-trifluoro-3-hydroxybutanoyl]piperidin-4-yl]indol-5-yl]benzamide
CID 118865544
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722738
3-cyano-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]benzamide
CID 126712015
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide (CID 144782943) is 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide is CCCC(CCC)c1cn(C)c2ccc(NC(=O)c3cccc(C#N)c3)c(C)c12.
What is the InChIKey of 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide?
The InChIKey is CYLBGCXCXPBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-5-8-19(9-6-2)21-16-28(4)23-13-12-22(17(3)24(21)23)27-25(29)20-11-7-10-18(14-20)15-26/h7,10-14,16,19H,5-6,8-9H2,1-4H3,(H,27,29).
What are the key properties of 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide?
3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide has a molecular weight of 387.53 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-heptan-4-yl-1,4-dimethylindol-5-yl)benzamide is sourced from PubChem (CID 144782943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).