2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide

C25H27N3O4 — CID 71708711

IUPAC2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-22-9-7-20(8-10-22)26-25(30)17-28-16-24(32-2)23(29)13-21(28)15-27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,30)
InChIKeyGVCJNJALQKTCOF-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.06
Rot. Bonds7

About 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide

2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 71708711) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
PubChem CID71708711
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-22-9-7-20(8-10-22)26-25(30)17-28-16-24(32-2)23(29)13-21(28)15-27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,30)
InChIKeyGVCJNJALQKTCOF-UHFFFAOYSA-N
XLogP3.06
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 71703246
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 71703582
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 27505539
N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 27603314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide (CID 71708711) is 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is GVCJNJALQKTCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-22-9-7-20(8-10-22)26-25(30)17-28-16-24(32-2)23(29)13-21(28)15-27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13,16H,11-12,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide?
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 71708711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).