N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

C18H19N3O2 — CID 146085199

IUPACN-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C18H19N3O2/c1-12-6-7-14(10-19-12)18(23)21-9-8-16-15(11-21)4-3-5-17(16)20-13(2)22/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyGUEHAIZVAKVTSJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds2

About N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (PubChem CID 146085199) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
PubChem CID146085199
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C18H19N3O2/c1-12-6-7-14(10-19-12)18(23)21-9-8-16-15(11-21)4-3-5-17(16)20-13(2)22/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyGUEHAIZVAKVTSJ-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
N-[2-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 48692221
5-acetamido-N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065776
1-[11-(6-methylpyridine-3-carbonyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 133073323
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
5-acetamido-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167870403
5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065964
N-[4-(8-acetamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]prop-2-enamide
CID 166411781
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146126036
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The IUPAC name of N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (CID 146085199) is N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.
What is the SMILES notation for N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The canonical SMILES for N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(C)nc1)C2.
What is the InChIKey of N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The InChIKey is GUEHAIZVAKVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-7-14(10-19-12)18(23)21-9-8-16-15(11-21)4-3-5-17(16)20-13(2)22/h3-7,10H,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is sourced from PubChem (CID 146085199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).