N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide

C21H24FN3O3 — CID 91640730

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1=O
InChIInChI=1S/C21H24FN3O3/c1-13-10-14(2)25(8-9-28-3)21(27)19(13)20(26)23-7-6-15-12-24-18-5-4-16(22)11-17(15)18/h4-5,10-12,24H,6-9H2,1-3H3,(H,23,26)
InChIKeyZUTYCKUENZTCTM-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 91640730) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID91640730
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1=O
InChIInChI=1S/C21H24FN3O3/c1-13-10-14(2)25(8-9-28-3)21(27)19(13)20(26)23-7-6-15-12-24-18-5-4-16(22)11-17(15)18/h4-5,10-12,24H,6-9H2,1-3H3,(H,23,26)
InChIKeyZUTYCKUENZTCTM-UHFFFAOYSA-N
XLogP2.70
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111544590
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide
CID 71706857
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111788823
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
3-fluoro-N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111972084

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 91640730) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is COCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1=O.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is ZUTYCKUENZTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-13-10-14(2)25(8-9-28-3)21(27)19(13)20(26)23-7-6-15-12-24-18-5-4-16(22)11-17(15)18/h4-5,10-12,24H,6-9H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91640730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).