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

C22H21N3O2 — CID 84574700

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C22H21N3O2/c1-27-20-11-5-4-10-19(20)24-22(26)18-9-6-13-23-21(18)25-14-12-16-7-2-3-8-17(16)15-25/h2-11,13H,12,14-15H2,1H3,(H,24,26)
InChIKeyIIPBBISZJXSMAK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds4

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 84574700) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID84574700
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C22H21N3O2/c1-27-20-11-5-4-10-19(20)24-22(26)18-9-6-13-23-21(18)25-14-12-16-7-2-3-8-17(16)15-25/h2-11,13H,12,14-15H2,1H3,(H,24,26)
InChIKeyIIPBBISZJXSMAK-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxamide
CID 109284191
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
CID 75374187
4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2439104

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 84574700) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)c1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is IIPBBISZJXSMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-20-11-5-4-10-19(20)24-22(26)18-9-6-13-23-21(18)25-14-12-16-7-2-3-8-17(16)15-25/h2-11,13H,12,14-15H2,1H3,(H,24,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84574700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).