N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C16H19N3O4S — CID 42534504

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H19N3O4S/c1-3-19-8-13(14(20)12-5-4-10(2)17-15(12)19)16(21)18-11-6-7-24(22,23)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyQGVVWQDUPCOCAP-NSHDSACASA-N
MW349.41 g/mol
LogP0.64
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 42534504) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID42534504
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H19N3O4S/c1-3-19-8-13(14(20)12-5-4-10(2)17-15(12)19)16(21)18-11-6-7-24(22,23)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyQGVVWQDUPCOCAP-NSHDSACASA-N
XLogP0.64
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 42649336
1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
CID 23959970
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 131927818
1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10091426
[2-[[(2R)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2548951
3-[4-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90506951
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 29111432
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 100907336

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 42534504) is N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QGVVWQDUPCOCAP-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-19-8-13(14(20)12-5-4-10(2)17-15(12)19)16(21)18-11-6-7-24(22,23)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 42534504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).