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

C24H25N3O — CID 109192147

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCc3ccccc3C2)cn1)c1cccc(C)c1
InChIInChI=1S/C24H25N3O/c1-3-27(21-10-6-7-18(2)15-21)24(28)23-12-11-22(16-25-23)26-14-13-19-8-4-5-9-20(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyHBYUTZRNVMBGQC-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.62
Rot. Bonds4

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109192147) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109192147
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCc3ccccc3C2)cn1)c1cccc(C)c1
InChIInChI=1S/C24H25N3O/c1-3-27(21-10-6-7-18(2)15-21)24(28)23-12-11-22(16-25-23)26-14-13-19-8-4-5-9-20(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3
InChIKeyHBYUTZRNVMBGQC-UHFFFAOYSA-N
XLogP4.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186597
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109259769
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335444
N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109192147) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide is CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cn1)c1cccc(C)c1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is HBYUTZRNVMBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-27(21-10-6-7-18(2)15-21)24(28)23-12-11-22(16-25-23)26-14-13-19-8-4-5-9-20(19)17-26/h4-12,15-16H,3,13-14,17H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 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-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).