N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C20H23N3O — CID 84574711

IUPACN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C20H23N3O/c24-20(22-17-8-3-4-9-17)18-10-5-12-21-19(18)23-13-11-15-6-1-2-7-16(15)14-23/h1-2,5-7,10,12,17H,3-4,8-9,11,13-14H2,(H,22,24)
InChIKeyQIDDBASXXNRKSN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.32
Rot. Bonds3

About N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 84574711) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID84574711
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C20H23N3O/c24-20(22-17-8-3-4-9-17)18-10-5-12-21-19(18)23-13-11-15-6-1-2-7-16(15)14-23/h1-2,5-7,10,12,17H,3-4,8-9,11,13-14H2,(H,22,24)
InChIKeyQIDDBASXXNRKSN-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84576404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84574700
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119458333
5-(cyclohexylcarbamoylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 1067428
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 42752860

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 84574711) is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is O=C(NC1CCCC1)c1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is QIDDBASXXNRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-17-8-3-4-9-17)18-10-5-12-21-19(18)23-13-11-15-6-1-2-7-16(15)14-23/h1-2,5-7,10,12,17H,3-4,8-9,11,13-14H2,(H,22,24).
What are the key properties of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 84574711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).