6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C23H23N3O2 — CID 71624477

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-21-9-6-17(7-10-21)14-25-23(27)19-8-11-22(24-15-19)26-13-12-18-4-2-3-5-20(18)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27)
InChIKeyORPMKYPBDVZOCL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.58
Rot. Bonds5

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 71624477) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID71624477
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-21-9-6-17(7-10-21)14-25-23(27)19-8-11-22(24-15-19)26-13-12-18-4-2-3-5-20(18)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27)
InChIKeyORPMKYPBDVZOCL-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 71624477) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ORPMKYPBDVZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-21-9-6-17(7-10-21)14-25-23(27)19-8-11-22(24-15-19)26-13-12-18-4-2-3-5-20(18)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71624477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).