[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H20N4O5 — CID 23741999

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H20N4O5/c1-3-25-10-15(18(27)14-9-8-12(2)23-20(14)25)21(29)30-11-17(26)24-16-7-5-4-6-13(16)19(22)28/h4-10H,3,11H2,1-2H3,(H2,22,28)(H,24,26)
InChIKeyXCMWYJHJGIQYBM-UHFFFAOYSA-N
MW408.41 g/mol
LogP1.62
Rot. Bonds6

About [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 23741999) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID23741999
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H20N4O5/c1-3-25-10-15(18(27)14-9-8-12(2)23-20(14)25)21(29)30-11-17(26)24-16-7-5-4-6-13(16)19(22)28/h4-10H,3,11H2,1-2H3,(H2,22,28)(H,24,26)
InChIKeyXCMWYJHJGIQYBM-UHFFFAOYSA-N
XLogP1.62
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23909864
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
CID 16804712
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
(3-bromophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1314297
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 23741999) is [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is XCMWYJHJGIQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-3-25-10-15(18(27)14-9-8-12(2)23-20(14)25)21(29)30-11-17(26)24-16-7-5-4-6-13(16)19(22)28/h4-10H,3,11H2,1-2H3,(H2,22,28)(H,24,26).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 408.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 23741999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).