1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C17H23N3O3S — CID 91640816

IUPAC1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC(CO)CCSC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H23N3O3S/c1-4-20-9-14(17(23)19-12(10-21)7-8-24-3)15(22)13-6-5-11(2)18-16(13)20/h5-6,9,12,21H,4,7-8,10H2,1-3H3,(H,19,23)
InChIKeyCNLRRONSEZGTDN-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.57
Rot. Bonds7

About 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 91640816) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID91640816
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC(CO)CCSC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H23N3O3S/c1-4-20-9-14(17(23)19-12(10-21)7-8-24-3)15(22)13-6-5-11(2)18-16(13)20/h5-6,9,12,21H,4,7-8,10H2,1-3H3,(H,19,23)
InChIKeyCNLRRONSEZGTDN-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 91640816) is 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NC(CO)CCSC)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is CNLRRONSEZGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-20-9-14(17(23)19-12(10-21)7-8-24-3)15(22)13-6-5-11(2)18-16(13)20/h5-6,9,12,21H,4,7-8,10H2,1-3H3,(H,19,23).
What are the key properties of 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 91640816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).