N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide

C20H13N5O2S — CID 10362759

IUPACN-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cn(-c2cccc(C#Cc3cnsn3)c2)c2ncccc2c1=O
InChIInChI=1S/C20H13N5O2S/c1-21-20(27)17-12-25(19-16(18(17)26)6-3-9-22-19)15-5-2-4-13(10-15)7-8-14-11-23-28-24-14/h2-6,9-12H,1H3,(H,21,27)
InChIKeyNBGBTQYWPLISHV-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.00
Rot. Bonds2

About N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide

N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 10362759) has the molecular formula C20H13N5O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID10362759
Molecular FormulaC20H13N5O2S
Molecular Weight387.42 g/mol
Exact Mass387.08
IUPAC NameN-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cn(-c2cccc(C#Cc3cnsn3)c2)c2ncccc2c1=O
InChIInChI=1S/C20H13N5O2S/c1-21-20(27)17-12-25(19-16(18(17)26)6-3-9-22-19)15-5-2-4-13(10-15)7-8-14-11-23-28-24-14/h2-6,9-12H,1H3,(H,21,27)
InChIKeyNBGBTQYWPLISHV-UHFFFAOYSA-N
XLogP2.00
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide (CID 10362759) is N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide is CNC(=O)c1cn(-c2cccc(C#Cc3cnsn3)c2)c2ncccc2c1=O.
What is the InChIKey of N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is NBGBTQYWPLISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2S/c1-21-20(27)17-12-25(19-16(18(17)26)6-3-9-22-19)15-5-2-4-13(10-15)7-8-14-11-23-28-24-14/h2-6,9-12H,1H3,(H,21,27).
What are the key properties of N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide?
N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-1-[3-[2-(1,2,5-thiadiazol-3-yl)ethynyl]phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).