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

C23H28N4O — CID 122178864

IUPACN-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3ccc[nH]3)CC1)CC2
InChIInChI=1S/C23H28N4O/c24-15-18-3-6-19-10-13-27(16-20(19)14-18)12-9-17-4-7-21(8-5-17)26-23(28)22-2-1-11-25-22/h1-3,6,11,14,17,21,25H,4-5,7-10,12-13,16H2,(H,26,28)
InChIKeyDYYDGIYTRRBVEC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.62
Rot. Bonds5

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

N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide (PubChem CID 122178864) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide
PubChem CID122178864
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3ccc[nH]3)CC1)CC2
InChIInChI=1S/C23H28N4O/c24-15-18-3-6-19-10-13-27(16-20(19)14-18)12-9-17-4-7-21(8-5-17)26-23(28)22-2-1-11-25-22/h1-3,6,11,14,17,21,25H,4-5,7-10,12-13,16H2,(H,26,28)
InChIKeyDYYDGIYTRRBVEC-UHFFFAOYSA-N
XLogP3.62
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155551128
(E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 10647305
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1-benzofuran-3-carboxamide
CID 18414312
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
CID 5311096
N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 11576059
(E)-N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-naphthalen-2-ylprop-2-enamide;hydrochloride
CID 44533947
N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 12049910
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 78851426
(E)-N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-quinolin-3-ylprop-2-enamide
CID 44533823
(E)-3-(4-bromothiophen-2-yl)-N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]prop-2-enamide;hydrochloride
CID 44534034
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-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide (CID 122178864) is N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide is N#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3ccc[nH]3)CC1)CC2.
What is the InChIKey of N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DYYDGIYTRRBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c24-15-18-3-6-19-10-13-27(16-20(19)14-18)12-9-17-4-7-21(8-5-17)26-23(28)22-2-1-11-25-22/h1-3,6,11,14,17,21,25H,4-5,7-10,12-13,16H2,(H,26,28).
What are the key properties of N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122178864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).