2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide

C19H27N3O2 — CID 129380570

IUPAC2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1
InChIInChI=1S/C19H27N3O2/c1-13-6-7-14(2)16(11-13)20-18(23)19(24)22-9-4-5-15-12-21(3)10-8-17(15)22/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyMDMIVNCEMTXOOX-NVXWUHKLSA-N
MW329.44 g/mol
LogP2.18
Rot. Bonds1

About 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide

2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide (PubChem CID 129380570) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide
PubChem CID129380570
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1
InChIInChI=1S/C19H27N3O2/c1-13-6-7-14(2)16(11-13)20-18(23)19(24)22-9-4-5-15-12-21(3)10-8-17(15)22/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyMDMIVNCEMTXOOX-NVXWUHKLSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide
CID 86818176
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
(4aR,8aS)-N-(2,5-dichlorophenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 97061970
N-(5-bromo-2-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 124568699
(4aR,8aS)-N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 124622578
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
(4aR,8aS)-N-(4-acetylphenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 96997650
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965
N-cyclohexyl-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 127710002
ethyl 4-[2-(2,5-dimethylanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108531030

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide (CID 129380570) is 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1.
What is the InChIKey of 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The InChIKey is MDMIVNCEMTXOOX-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-7-14(2)16(11-13)20-18(23)19(24)22-9-4-5-15-12-21(3)10-8-17(15)22/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3,(H,20,23)/t15-,17-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide?
2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide has a molecular weight of 329.44 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 129380570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).