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

C23H32N4O — CID 122178865

IUPAC(2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)[C@H]3CCCN3)CC1)CC2
InChIInChI=1S/C23H32N4O/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/h3,6,14,17,21-22,25H,1-2,4-5,7-13,16H2,(H,26,28)/t17?,21?,22-/m1/s1
InChIKeyZWZAPWLAVHOSSD-JHJOLFGTSA-N
MW380.54 g/mol
LogP2.73
Rot. Bonds5

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

(2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 122178865) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID122178865
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)[C@H]3CCCN3)CC1)CC2
InChIInChI=1S/C23H32N4O/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/h3,6,14,17,21-22,25H,1-2,4-5,7-13,16H2,(H,26,28)/t17?,21?,22-/m1/s1
InChIKeyZWZAPWLAVHOSSD-JHJOLFGTSA-N
XLogP2.73
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-1-(2-{[2-methyl-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11581458
(2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11717090
(2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 46888842
(2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 46888843
2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-4-methyl-1-oxopentyl]-1,2,3,4-tetrahydroisoquinoline
CID 11494684
(2S)-1-(2-{[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11515912
(2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11617338
(2S)-1-[(2S,4S)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 46938705
(3R)-N-[(2R)-1-cyclohexyl-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134347910
(2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11695535
N-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 6619107
(S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 4-aminomethyl-2,5-dimethyl-benzylamide
CID 10767215

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide (CID 122178865) is (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide is N#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)[C@H]3CCCN3)CC1)CC2.
What is the InChIKey of (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is ZWZAPWLAVHOSSD-JHJOLFGTSA-N. The full InChI is InChI=1S/C23H32N4O/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/h3,6,14,17,21-22,25H,1-2,4-5,7-13,16H2,(H,26,28)/t17?,21?,22-/m1/s1.
What are the key properties of (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122178865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).