6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide

C24H25N3O4 — CID 71560809

IUPAC6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(Oc3ccc(C(N)=O)cn3)cc1)CC2
InChIInChI=1S/C24H25N3O4/c1-29-21-11-17-9-10-27(15-19(17)12-22(21)30-2)14-16-3-6-20(7-4-16)31-23-8-5-18(13-26-23)24(25)28/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,25,28)
InChIKeyUKVIVARPCXMWDH-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.55
Rot. Bonds7

About 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 71560809) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID71560809
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(Oc3ccc(C(N)=O)cn3)cc1)CC2
InChIInChI=1S/C24H25N3O4/c1-29-21-11-17-9-10-27(15-19(17)12-22(21)30-2)14-16-3-6-20(7-4-16)31-23-8-5-18(13-26-23)24(25)28/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,25,28)
InChIKeyUKVIVARPCXMWDH-UHFFFAOYSA-N
XLogP3.55
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carbothioamide
CID 71560810
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 90971655
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 91297497
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 59730327
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
CID 68750583

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 71560809) is 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide is COc1cc2c(cc1OC)CN(Cc1ccc(Oc3ccc(C(N)=O)cn3)cc1)CC2.
What is the InChIKey of 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is UKVIVARPCXMWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-21-11-17-9-10-27(15-19(17)12-22(21)30-2)14-16-3-6-20(7-4-16)31-23-8-5-18(13-26-23)24(25)28/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,25,28).
What are the key properties of 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 71560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).