6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

C26H36ClN5O2 — CID 20740306

IUPAC6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)c1cc2ccc(Cl)cc2n1CCN(C)C
InChIInChI=1S/C26H36ClN5O2/c1-17(2)13-20(16-28)29-25(33)21-7-5-6-8-22(21)30-26(34)24-14-18-9-10-19(27)15-23(18)32(24)12-11-31(3)4/h9-10,14-15,17,20-22H,5-8,11-13H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyQVZUVGWNLFFMNT-UHFFFAOYSA-N
MW486.06 g/mol
LogP4.20
Rot. Bonds9

About 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (PubChem CID 20740306) has the molecular formula C26H36ClN5O2 and a molecular weight of 486.06 g/mol. Its IUPAC name is 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
PubChem CID20740306
Molecular FormulaC26H36ClN5O2
Molecular Weight486.06 g/mol
Exact Mass485.26
IUPAC Name6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)c1cc2ccc(Cl)cc2n1CCN(C)C
InChIInChI=1S/C26H36ClN5O2/c1-17(2)13-20(16-28)29-25(33)21-7-5-6-8-22(21)30-26(34)24-14-18-9-10-19(27)15-23(18)32(24)12-11-31(3)4/h9-10,14-15,17,20-22H,5-8,11-13H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyQVZUVGWNLFFMNT-UHFFFAOYSA-N
XLogP4.20
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.06
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide with MolForge

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Related Compounds

1-(3-chloropropyl)-N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]indole-2-carboxamide;cis-(1R,2S)-2-amino-N-[(1S)-1-cyano-3-methylbutyl]cyclohexane-1-carboxamide;hydrochloride
CID 159479780
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide
CID 23510041
N-[(1S,2R)-2-[[1-cyano-3-[(S)-methylsulfinyl]propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 91485427
benzyl 4-(2-bromoethyl)piperidine-1-carboxylate;N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]indole-2-carboxamide;N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-1-(2-piperidin-4-ylethyl)indole-2-carboxamide;2-piperidin-4-ylethanol
CID 160627763
N-[(1S,2R)-2-[(1-cyano-2-piperidin-4-ylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;hydrochloride
CID 86591896
N-[(1S,2R)-2-[[(1S)-1-cyanobutyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;bis(N-[(1S,2R)-2-[(1-cyano-4-hydroxybutyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide)
CID 158118235
N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 11488576
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808286
N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 11361809
N-[(1S,2R)-2-[[1-cyano-2-(2-methyl-4-pyridinyl)ethyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 20740215
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-(2-methylanilino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808353

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (CID 20740306) is 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is CC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)c1cc2ccc(Cl)cc2n1CCN(C)C.
What is the InChIKey of 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The InChIKey is QVZUVGWNLFFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5O2/c1-17(2)13-20(16-28)29-25(33)21-7-5-6-8-22(21)30-26(34)24-14-18-9-10-19(27)15-23(18)32(24)12-11-31(3)4/h9-10,14-15,17,20-22H,5-8,11-13H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is sourced from PubChem (CID 20740306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).