N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide

C23H27N3O — CID 109183628

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H27N3O/c27-23(24-14-12-18-6-2-1-3-7-18)22-11-10-21(16-25-22)26-15-13-19-8-4-5-9-20(19)17-26/h4-6,8-11,16H,1-3,7,12-15,17H2,(H,24,27)
InChIKeyUJDOBDOFBYADRH-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide (PubChem CID 109183628) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
PubChem CID109183628
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H27N3O/c27-23(24-14-12-18-6-2-1-3-7-18)22-11-10-21(16-25-22)26-15-13-19-8-4-5-9-20(19)17-26/h4-6,8-11,16H,1-3,7,12-15,17H2,(H,24,27)
InChIKeyUJDOBDOFBYADRH-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide (CID 109183628) is N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The InChIKey is UJDOBDOFBYADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(24-14-12-18-6-2-1-3-7-18)22-11-10-21(16-25-22)26-15-13-19-8-4-5-9-20(19)17-26/h4-6,8-11,16H,1-3,7,12-15,17H2,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109183628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).