6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C22H23N3O4 — CID 109155413

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NCc3ccco3)cn1)CC2
InChIInChI=1S/C22H23N3O4/c1-27-19-10-15-7-8-25(14-17(15)11-20(19)28-2)21-6-5-16(12-23-21)22(26)24-13-18-4-3-9-29-18/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,24,26)
InChIKeyRSZKEPBWVMGFGT-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.18
Rot. Bonds6

About 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109155413) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109155413
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NCc3ccco3)cn1)CC2
InChIInChI=1S/C22H23N3O4/c1-27-19-10-15-7-8-25(14-17(15)11-20(19)28-2)21-6-5-16(12-23-21)22(26)24-13-18-4-3-9-29-18/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,24,26)
InChIKeyRSZKEPBWVMGFGT-UHFFFAOYSA-N
XLogP3.18
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
CID 109169350
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 53150001
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 109155413) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is COc1cc2c(cc1OC)CN(c1ccc(C(=O)NCc3ccco3)cn1)CC2.
What is the InChIKey of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RSZKEPBWVMGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-10-15-7-8-25(14-17(15)11-20(19)28-2)21-6-5-16(12-23-21)22(26)24-13-18-4-3-9-29-18/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,24,26).
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).