N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide

C19H26FN3O2 — CID 86818176

IUPACN-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCCC3CN(C)CCC32)cc1F
InChIInChI=1S/C19H26FN3O2/c1-3-13-6-7-15(11-16(13)20)21-18(24)19(25)23-9-4-5-14-12-22(2)10-8-17(14)23/h6-7,11,14,17H,3-5,8-10,12H2,1-2H3,(H,21,24)
InChIKeyBOUOGAAGPBLTPW-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.27
Rot. Bonds2

About N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide

N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide (PubChem CID 86818176) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide
PubChem CID86818176
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCCC3CN(C)CCC32)cc1F
InChIInChI=1S/C19H26FN3O2/c1-3-13-6-7-15(11-16(13)20)21-18(24)19(25)23-9-4-5-14-12-22(2)10-8-17(14)23/h6-7,11,14,17H,3-5,8-10,12H2,1-2H3,(H,21,24)
InChIKeyBOUOGAAGPBLTPW-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
(4aR,8aS)-N-(4-acetylphenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 96997650
(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-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
1-[(4aR,8aS)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 30956859
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 75396327
N-(3-fluoro-4-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797779
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide?
The IUPAC name of 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) is N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide is CCc1ccc(NC(=O)C(=O)N2CCCC3CN(C)CCC32)cc1F.
What is the InChIKey of N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide?
The InChIKey is BOUOGAAGPBLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-13-6-7-15(11-16(13)20)21-18(24)19(25)23-9-4-5-14-12-22(2)10-8-17(14)23/h6-7,11,14,17H,3-5,8-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide?
N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide has a molecular weight of 347.43 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-fluorophenyl)-2-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 86818176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).