6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

C24H24N4O4 — CID 3236354

IUPAC6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)NCc1cccnc1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-28-22(16-7-5-9-26-14-16)21(23(29)27-13-15-6-4-8-25-12-15)17-10-19(31-2)20(32-3)11-18(17)24(28)30/h4-12,14,21-22H,13H2,1-3H3,(H,27,29)
InChIKeyWXAKPQFTPJVJMF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.72
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3236354) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3236354
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)NCc1cccnc1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-28-22(16-7-5-9-26-14-16)21(23(29)27-13-15-6-4-8-25-12-15)17-10-19(31-2)20(32-3)11-18(17)24(28)30/h4-12,14,21-22H,13H2,1-3H3,(H,27,29)
InChIKeyWXAKPQFTPJVJMF-UHFFFAOYSA-N
XLogP2.72
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

Tariquidar
CID 148201
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
Pseudocoralyne
CID 72351
N-[3-(3,4-Dimethoxy-benzoylamino)-propyl]-nicotinamide
CID 6456930
3,4-Dimethoxy-N-(3-pyridinylmethyl)benzamide
CID 597002
methyl 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3238697
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765
6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 5307222
3-Amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
CID 10046038

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (CID 3236354) is 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is COc1cc2c(cc1OC)C(C(=O)NCc1cccnc1)C(c1cccnc1)N(C)C2=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is WXAKPQFTPJVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-28-22(16-7-5-9-26-14-16)21(23(29)27-13-15-6-4-8-25-12-15)17-10-19(31-2)20(32-3)11-18(17)24(28)30/h4-12,14,21-22H,13H2,1-3H3,(H,27,29).
What are the key properties of 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3236354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).