N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide

C27H30N4O — CID 174407134

IUPACN-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1(NC(=O)c3cccc4[nH]ccc34)CCCCC1)CC2
InChIInChI=1S/C27H30N4O/c28-18-20-7-8-21-10-15-31(19-22(21)17-20)16-13-27(11-2-1-3-12-27)30-26(32)24-5-4-6-25-23(24)9-14-29-25/h4-9,14,17,29H,1-3,10-13,15-16,19H2,(H,30,32)
InChIKeyKTPAKSOQFZLRNR-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds5

About N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide

N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide (PubChem CID 174407134) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide
PubChem CID174407134
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1(NC(=O)c3cccc4[nH]ccc34)CCCCC1)CC2
InChIInChI=1S/C27H30N4O/c28-18-20-7-8-21-10-15-31(19-22(21)17-20)16-13-27(11-2-1-3-12-27)30-26(32)24-5-4-6-25-23(24)9-14-29-25/h4-9,14,17,29H,1-3,10-13,15-16,19H2,(H,30,32)
InChIKeyKTPAKSOQFZLRNR-UHFFFAOYSA-N
XLogP4.92
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide with MolForge

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Related Compounds

N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-5-fluoro-1H-indole-2-carboxamide
CID 174407394
N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide
CID 174407133
N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)benzamide
CID 22570213
N-[1-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 69095726
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
2-[2-(1-aminocyclohexyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 22570212
2-pyridin-3-yl-N-[1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide
CID 68886474
4-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-methylsulfonyl-1H-indole-3-carboxamide
CID 174423366
N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 122178864
(E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)prop-2-enamide
CID 22132504
N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide
CID 70165058
N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
CID 18797048

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide (CID 174407134) is N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide is N#Cc1ccc2c(c1)CN(CCC1(NC(=O)c3cccc4[nH]ccc34)CCCCC1)CC2.
What is the InChIKey of N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide?
The InChIKey is KTPAKSOQFZLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c28-18-20-7-8-21-10-15-31(19-22(21)17-20)16-13-27(11-2-1-3-12-27)30-26(32)24-5-4-6-25-23(24)9-14-29-25/h4-9,14,17,29H,1-3,10-13,15-16,19H2,(H,30,32).
What are the key properties of N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide?
N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 174407134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).