1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide

C25H31N5O — CID 154664519

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)CCN(CCCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2
InChIInChI=1S/C25H31N5O/c1-19-3-5-23-18-29(12-7-22(23)15-19)11-2-10-27-25(31)21-8-13-30(14-9-21)24-6-4-20(16-26)17-28-24/h3-6,15,17,21H,2,7-14,18H2,1H3,(H,27,31)
InChIKeyWGLTUJHMHHXHIJ-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.04
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 154664519) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
PubChem CID154664519
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)CCN(CCCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2
InChIInChI=1S/C25H31N5O/c1-19-3-5-23-18-29(12-7-22(23)15-19)11-2-10-27-25(31)21-8-13-30(14-9-21)24-6-4-20(16-26)17-28-24/h3-6,15,17,21H,2,7-14,18H2,1H3,(H,27,31)
InChIKeyWGLTUJHMHHXHIJ-UHFFFAOYSA-N
XLogP3.04
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-cyanophenyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
CID 154664525
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
CID 46481936
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(4-cyano-2-fluorophenyl)-N-[2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-3-carboxamide
CID 154664526
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(4-methylphenyl)piperidine-4-carboxamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 158505105
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide (CID 154664519) is 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide is Cc1ccc2c(c1)CCN(CCCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is WGLTUJHMHHXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-19-3-5-23-18-29(12-7-22(23)15-19)11-2-10-27-25(31)21-8-13-30(14-9-21)24-6-4-20(16-26)17-28-24/h3-6,15,17,21H,2,7-14,18H2,1H3,(H,27,31).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 154664519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).