6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide

C20H20N2O2 — CID 57202729

IUPAC6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C(O)Cc2cccc3ccccc23)nc1
InChIInChI=1S/C20H20N2O2/c1-22(2)20(24)16-10-11-18(21-13-16)19(23)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13,19,23H,12H2,1-2H3
InChIKeyYJVCADWZMWGZAK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.21
Rot. Bonds4

About 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide

6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 57202729) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID57202729
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C(O)Cc2cccc3ccccc23)nc1
InChIInChI=1S/C20H20N2O2/c1-22(2)20(24)16-10-11-18(21-13-16)19(23)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13,19,23H,12H2,1-2H3
InChIKeyYJVCADWZMWGZAK-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105086344
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
(2S)-2-[4-(dimethylcarbamoyl)phenyl]-2-[isoquinolin-5-ylmethyl(methyl)amino]acetic acid
CID 97193338
toluene;N,N,6-trimethylpyridine-3-carboxamide;hydrate
CID 159310249
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide (CID 57202729) is 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(C(O)Cc2cccc3ccccc23)nc1.
What is the InChIKey of 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is YJVCADWZMWGZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-22(2)20(24)16-10-11-18(21-13-16)19(23)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13,19,23H,12H2,1-2H3.
What are the key properties of 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide?
6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 57202729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).