5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide

C22H21N3O — CID 109192088

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cn2)cc1
InChIInChI=1S/C22H21N3O/c1-16-6-8-19(9-7-16)24-22(26)21-11-10-20(14-23-21)25-13-12-17-4-2-3-5-18(17)15-25/h2-11,14H,12-13,15H2,1H3,(H,24,26)
InChIKeyXRDTYJUTLFPBCB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.21
Rot. Bonds3

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109192088) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109192088
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cn2)cc1
InChIInChI=1S/C22H21N3O/c1-16-6-8-19(9-7-16)24-22(26)21-11-10-20(14-23-21)25-13-12-17-4-2-3-5-18(17)15-25/h2-11,14H,12-13,15H2,1H3,(H,24,26)
InChIKeyXRDTYJUTLFPBCB-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109371649
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109213889
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109192088) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cn2)cc1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is XRDTYJUTLFPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-6-8-19(9-7-16)24-22(26)21-11-10-20(14-23-21)25-13-12-17-4-2-3-5-18(17)15-25/h2-11,14H,12-13,15H2,1H3,(H,24,26).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).