N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide

C26H28N4O3 — CID 23510041

IUPACN-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2C(=O)NC(C#N)Cc2ccccc2)cc2ccc(O)cc21
InChIInChI=1S/C26H28N4O3/c1-30-23-15-20(31)12-11-18(23)14-24(30)26(33)29-22-10-6-5-9-21(22)25(32)28-19(16-27)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14-15,19,21-22,31H,5-6,9-10,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyBOXXVCSNTIQYOF-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.42
Rot. Bonds6

About N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide

N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide (PubChem CID 23510041) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide
PubChem CID23510041
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2C(=O)NC(C#N)Cc2ccccc2)cc2ccc(O)cc21
InChIInChI=1S/C26H28N4O3/c1-30-23-15-20(31)12-11-18(23)14-24(30)26(33)29-22-10-6-5-9-21(22)25(32)28-19(16-27)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14-15,19,21-22,31H,5-6,9-10,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyBOXXVCSNTIQYOF-UHFFFAOYSA-N
XLogP3.42
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
N-[(1S,2R)-2-[[1-cyano-2-(2-methyl-4-pyridinyl)ethyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 20740215
N-[(1S,2R)-2-[[1-cyano-3-[(S)-methylsulfinyl]propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 91485427
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
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808286
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 23510298
1-methyl-N-[(1S,2R)-2-[[4-methyl-1-(4-phenylbutylamino)pentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808390
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-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide
CID 69373413
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide (CID 23510041) is N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2CCCCC2C(=O)NC(C#N)Cc2ccccc2)cc2ccc(O)cc21.
What is the InChIKey of N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide?
The InChIKey is BOXXVCSNTIQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-30-23-15-20(31)12-11-18(23)14-24(30)26(33)29-22-10-6-5-9-21(22)25(32)28-19(16-27)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14-15,19,21-22,31H,5-6,9-10,13H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide?
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 23510041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).