N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide

C28H37N5O3 — CID 20740381

IUPACN-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCC1NC(=O)c1cc2ccccc2n1CCCN1CCOCC1)C1CC1
InChIInChI=1S/C28H37N5O3/c29-19-24(20-10-11-20)31-27(34)22-7-2-3-8-23(22)30-28(35)26-18-21-6-1-4-9-25(21)33(26)13-5-12-32-14-16-36-17-15-32/h1,4,6,9,18,20,22-24H,2-3,5,7-8,10-17H2,(H,30,35)(H,31,34)
InChIKeyGQPZUHKRHVRCAT-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.07
Rot. Bonds9

About N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide

N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide (PubChem CID 20740381) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide
PubChem CID20740381
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC NameN-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCC1NC(=O)c1cc2ccccc2n1CCCN1CCOCC1)C1CC1
InChIInChI=1S/C28H37N5O3/c29-19-24(20-10-11-20)31-27(34)22-7-2-3-8-23(22)30-28(35)26-18-21-6-1-4-9-25(21)33(26)13-5-12-32-14-16-36-17-15-32/h1,4,6,9,18,20,22-24H,2-3,5,7-8,10-17H2,(H,30,35)(H,31,34)
InChIKeyGQPZUHKRHVRCAT-UHFFFAOYSA-N
XLogP3.07
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-[[(S)-cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11236378
N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide
CID 69373413
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-cyano-3-[(S)-methylsulfinyl]propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 91485427
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
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
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-6-hydroxy-1-methylindole-2-carboxamide
CID 23510041
N-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
6-chloro-N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 20740306
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The IUPAC name of N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide (CID 20740381) is N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide.
What is the SMILES notation for N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The canonical SMILES for N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide is N#CC(NC(=O)C1CCCCC1NC(=O)c1cc2ccccc2n1CCCN1CCOCC1)C1CC1.
What is the InChIKey of N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
The InChIKey is GQPZUHKRHVRCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c29-19-24(20-10-11-20)31-27(34)22-7-2-3-8-23(22)30-28(35)26-18-21-6-1-4-9-25(21)33(26)13-5-12-32-14-16-36-17-15-32/h1,4,6,9,18,20,22-24H,2-3,5,7-8,10-17H2,(H,30,35)(H,31,34).
What are the key properties of N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide?
N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-1-(3-morpholin-4-ylpropyl)indole-2-carboxamide is sourced from PubChem (CID 20740381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).