methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate

C27H35N7O6S — CID 146345554

IUPACmethyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOCCN(C)c1nsc(-n2cc(C(=O)OC)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1
InChIInChI=1S/C27H35N7O6S/c1-16-11-20(33-13-17(14-33)24(36)28-12-18-7-5-6-9-40-18)29-23-21(16)22(35)19(25(37)39-4)15-34(23)27-30-26(31-41-27)32(2)8-10-38-3/h11,15,17-18H,5-10,12-14H2,1-4H3,(H,28,36)
InChIKeyDGDHUHQAYOZHIK-UHFFFAOYSA-N
MW585.69 g/mol
LogP1.54
Rot. Bonds10

About methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate

methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 146345554) has the molecular formula C27H35N7O6S and a molecular weight of 585.69 g/mol. Its IUPAC name is methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID146345554
Molecular FormulaC27H35N7O6S
Molecular Weight585.69 g/mol
Exact Mass585.24
IUPAC Namemethyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOCCN(C)c1nsc(-n2cc(C(=O)OC)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1
InChIInChI=1S/C27H35N7O6S/c1-16-11-20(33-13-17(14-33)24(36)28-12-18-7-5-6-9-40-18)29-23-21(16)22(35)19(25(37)39-4)15-34(23)27-30-26(31-41-27)32(2)8-10-38-3/h11,15,17-18H,5-10,12-14H2,1-4H3,(H,28,36)
InChIKeyDGDHUHQAYOZHIK-UHFFFAOYSA-N
XLogP1.54
TPSA141.01 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142435030
ethyl 1-[3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434581
N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide
CID 146344857
1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434648
6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434663
7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-5-methyl-1-[3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142435211
6-fluoro-7-[3-(oxepan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434988
7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435603
7-[3-(2-cyclohexylacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161388635
7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435189
1-(C-aminosulfanyl-N-methylcarbonimidoyl)-7-[3-[[5-[2-(2-methoxyethoxy)ethyl-methylamino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 146345295
7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435616

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate (CID 146345554) is methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate is COCCN(C)c1nsc(-n2cc(C(=O)OC)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1.
What is the InChIKey of methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is DGDHUHQAYOZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O6S/c1-16-11-20(33-13-17(14-33)24(36)28-12-18-7-5-6-9-40-18)29-23-21(16)22(35)19(25(37)39-4)15-34(23)27-30-26(31-41-27)32(2)8-10-38-3/h11,15,17-18H,5-10,12-14H2,1-4H3,(H,28,36).
What are the key properties of methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate?
methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 585.69 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 146345554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).