1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide

C27H28N4O5S — CID 86714135

IUPAC1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
SMILESCc1nc(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C27H28N4O5S/c1-18-24-22(25(32)23(29-18)26(33)28-14-15-30(2)37(3,35)36)16-21(20-12-8-5-9-13-20)27(34)31(24)17-19-10-6-4-7-11-19/h4-13,16,32H,14-15,17H2,1-3H3,(H,28,33)
InChIKeyFTMPDNSCMCEWOF-UHFFFAOYSA-N
MW520.61 g/mol
LogP2.75
Rot. Bonds8

About 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide

1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide (PubChem CID 86714135) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
PubChem CID86714135
Molecular FormulaC27H28N4O5S
Molecular Weight520.61 g/mol
Exact Mass520.18
IUPAC Name1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
SMILESCc1nc(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C27H28N4O5S/c1-18-24-22(25(32)23(29-18)26(33)28-14-15-30(2)37(3,35)36)16-21(20-12-8-5-9-13-20)27(34)31(24)17-19-10-6-4-7-11-19/h4-13,16,32H,14-15,17H2,1-3H3,(H,28,33)
InChIKeyFTMPDNSCMCEWOF-UHFFFAOYSA-N
XLogP2.75
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide (CID 86714135) is 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide is Cc1nc(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is FTMPDNSCMCEWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-18-24-22(25(32)23(29-18)26(33)28-14-15-30(2)37(3,35)36)16-21(20-12-8-5-9-13-20)27(34)31(24)17-19-10-6-4-7-11-19/h4-13,16,32H,14-15,17H2,1-3H3,(H,28,33).
What are the key properties of 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 86714135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).