[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C24H25N3O — CID 109157533

IUPAC[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C24H25N3O/c1-2-26(17-19-8-4-3-5-9-19)23-13-12-21(16-25-23)24(28)27-15-14-20-10-6-7-11-22(20)18-27/h3-13,16H,2,14-15,17-18H2,1H3
InChIKeyUSWDCFIDNMXMMQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.31
Rot. Bonds5

About [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109157533) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109157533
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C24H25N3O/c1-2-26(17-19-8-4-3-5-9-19)23-13-12-21(16-25-23)24(28)27-15-14-20-10-6-7-11-22(20)18-27/h3-13,16H,2,14-15,17-18H2,1H3
InChIKeyUSWDCFIDNMXMMQ-UHFFFAOYSA-N
XLogP4.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
CID 109158481
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
CID 109105429
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108988971
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
[6-(1-benzylpyrazol-4-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4161295

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109157533) is [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cn1.
What is the InChIKey of [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is USWDCFIDNMXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-26(17-19-8-4-3-5-9-19)23-13-12-21(16-25-23)24(28)27-15-14-20-10-6-7-11-22(20)18-27/h3-13,16H,2,14-15,17-18H2,1H3.
What are the key properties of [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).