N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C19H17F2N3O2S — CID 2425193

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(SC(F)F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H17F2N3O2S/c1-3-24-10-15(16(25)14-9-4-11(2)22-17(14)24)18(26)23-12-5-7-13(8-6-12)27-19(20)21/h4-10,19H,3H2,1-2H3,(H,23,26)
InChIKeySSJIAWFLGLVBQQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 2425193) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID2425193
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(SC(F)F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H17F2N3O2S/c1-3-24-10-15(16(25)14-9-4-11(2)22-17(14)24)18(26)23-12-5-7-13(8-6-12)27-19(20)21/h4-10,19H,3H2,1-2H3,(H,23,26)
InChIKeySSJIAWFLGLVBQQ-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 2425193) is N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(SC(F)F)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SSJIAWFLGLVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-3-24-10-15(16(25)14-9-4-11(2)22-17(14)24)18(26)23-12-5-7-13(8-6-12)27-19(20)21/h4-10,19H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 2425193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).