N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide

C23H23N3O3 — CID 113028102

IUPACN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCc4ccccc4C3)cn2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-28-20-9-7-17(13-21(20)29-2)23(27)25-22-10-8-19(14-24-22)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25,27)
InChIKeyJJLYQPLFSRIHLZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.91
Rot. Bonds5

About N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113028102) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113028102
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCc4ccccc4C3)cn2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-28-20-9-7-17(13-21(20)29-2)23(27)25-22-10-8-19(14-24-22)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25,27)
InChIKeyJJLYQPLFSRIHLZ-UHFFFAOYSA-N
XLogP3.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16889197
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028143
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
4-chloro-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028146

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide (CID 113028102) is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCc4ccccc4C3)cn2)cc1OC.
What is the InChIKey of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is JJLYQPLFSRIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-20-9-7-17(13-21(20)29-2)23(27)25-22-10-8-19(14-24-22)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25,27).
What are the key properties of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113028102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).