N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide

C26H29N3O — CID 16659197

IUPACN-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide
SMILESCN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C26H29N3O/c1-28(2)18-19-7-8-23-17-24(14-13-22(23)16-19)29(3)26(30)21-11-9-20(10-12-21)25-6-4-5-15-27-25/h4-12,15-16,24H,13-14,17-18H2,1-3H3/t24-/m0/s1
InChIKeyNMZKSRUUENLYFV-DEOSSOPVSA-N
MW399.54 g/mol
LogP4.44
Rot. Bonds5

About N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide

N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide (PubChem CID 16659197) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide
PubChem CID16659197
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide
SMILESCN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C26H29N3O/c1-28(2)18-19-7-8-23-17-24(14-13-22(23)16-19)29(3)26(30)21-11-9-20(10-12-21)25-6-4-5-15-27-25/h4-12,15-16,24H,13-14,17-18H2,1-3H3/t24-/m0/s1
InChIKeyNMZKSRUUENLYFV-DEOSSOPVSA-N
XLogP4.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide 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

Perampanel
CID 9924495
Tak-637
CID 9894349
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
15-Pgdh-IN-1
CID 135300446
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
naphthalen-1-yl(1-pentyl-5-phenyl-1H-pyrrol-3-yl)methanone
CID 44418304
Jwh-146
CID 44418308
Jwh-370
CID 44418312
Jwh-309
CID 44418371
7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide (CID 16659197) is N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide is CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2.
What is the InChIKey of N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide?
The InChIKey is NMZKSRUUENLYFV-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28(2)18-19-7-8-23-17-24(14-13-22(23)16-19)29(3)26(30)21-11-9-20(10-12-21)25-6-4-5-15-27-25/h4-12,15-16,24H,13-14,17-18H2,1-3H3/t24-/m0/s1.
What are the key properties of N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide?
N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide has a molecular weight of 399.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 16659197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).