N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide

C28H30N4O — CID 174407133

IUPACN-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide
SMILESN#Cc1ccc2c(c1)CCN(CCC1(NC(=O)c3nccc4ccccc34)CCCCC1)C2
InChIInChI=1S/C28H30N4O/c29-19-21-8-9-24-20-32(16-11-23(24)18-21)17-14-28(12-4-1-5-13-28)31-27(33)26-25-7-3-2-6-22(25)10-15-30-26/h2-3,6-10,15,18H,1,4-5,11-14,16-17,20H2,(H,31,33)
InChIKeyDRTLZSMYLDWSTQ-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.99
Rot. Bonds5

About N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide

N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide (PubChem CID 174407133) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide
PubChem CID174407133
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide
SMILESN#Cc1ccc2c(c1)CCN(CCC1(NC(=O)c3nccc4ccccc34)CCCCC1)C2
InChIInChI=1S/C28H30N4O/c29-19-21-8-9-24-20-32(16-11-23(24)18-21)17-14-28(12-4-1-5-13-28)31-27(33)26-25-7-3-2-6-22(25)10-15-30-26/h2-3,6-10,15,18H,1,4-5,11-14,16-17,20H2,(H,31,33)
InChIKeyDRTLZSMYLDWSTQ-UHFFFAOYSA-N
XLogP4.99
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide with MolForge

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Related Compounds

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-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-4-carboxamide
CID 174407134
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-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 69095726
2-[2-(1-aminocyclohexyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 22570212
N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119566360
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
CID 5311096
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-N-methylquinoline-4-carboxamide
CID 46782308
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
CID 60611899
4-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-methylsulfonyl-1H-indole-3-carboxamide
CID 174423366
2-pyridin-3-yl-N-[1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide
CID 68886474
2-[2-[1-[4-(4-acetylphenyl)benzoyl]-2-aminocyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 174421226

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide (CID 174407133) is N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide is N#Cc1ccc2c(c1)CCN(CCC1(NC(=O)c3nccc4ccccc34)CCCCC1)C2.
What is the InChIKey of N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide?
The InChIKey is DRTLZSMYLDWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c29-19-21-8-9-24-20-32(16-11-23(24)18-21)17-14-28(12-4-1-5-13-28)31-27(33)26-25-7-3-2-6-22(25)10-15-30-26/h2-3,6-10,15,18H,1,4-5,11-14,16-17,20H2,(H,31,33).
What are the key properties of N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide?
N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 174407133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).