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

C24H25N3O2 — CID 109192060

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cn2)c1
InChIInChI=1S/C24H25N3O2/c1-29-22-8-4-5-18(15-22)11-13-25-24(28)23-10-9-21(16-26-23)27-14-12-19-6-2-3-7-20(19)17-27/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)
InChIKeyRLZUIEGNBMNGRZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.63
Rot. Bonds6

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192060) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192060
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cn2)c1
InChIInChI=1S/C24H25N3O2/c1-29-22-8-4-5-18(15-22)11-13-25-24(28)23-10-9-21(16-26-23)27-14-12-19-6-2-3-7-20(19)17-27/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)
InChIKeyRLZUIEGNBMNGRZ-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109183628
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109307986
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4,5-trimethoxybenzamide
CID 16889165
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276597
5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109192060) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cn2)c1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is RLZUIEGNBMNGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-22-8-4-5-18(15-22)11-13-25-24(28)23-10-9-21(16-26-23)27-14-12-19-6-2-3-7-20(19)17-27/h2-10,15-16H,11-14,17H2,1H3,(H,25,28).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).