N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

C24H27N5O5S — CID 10128243

IUPACN-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C24H27N5O5S/c1-28(2)19(30)14-16-8-3-4-9-17(16)15-26-24(32)21-22(31)20-18(10-7-11-25-20)23(27-21)29-12-5-6-13-35(29,33)34/h3-4,7-11,31H,5-6,12-15H2,1-2H3,(H,26,32)
InChIKeyMMHODSINCYCTKD-UHFFFAOYSA-N
MW497.58 g/mol
LogP1.83
Rot. Bonds6

About N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 10128243) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID10128243
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C24H27N5O5S/c1-28(2)19(30)14-16-8-3-4-9-17(16)15-26-24(32)21-22(31)20-18(10-7-11-25-20)23(27-21)29-12-5-6-13-35(29,33)34/h3-4,7-11,31H,5-6,12-15H2,1-2H3,(H,26,32)
InChIKeyMMHODSINCYCTKD-UHFFFAOYSA-N
XLogP1.83
TPSA132.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 10128243) is N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is CN(C)C(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is MMHODSINCYCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-28(2)19(30)14-16-8-3-4-9-17(16)15-26-24(32)21-22(31)20-18(10-7-11-25-20)23(27-21)29-12-5-6-13-35(29,33)34/h3-4,7-11,31H,5-6,12-15H2,1-2H3,(H,26,32).
What are the key properties of N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)-2-oxoethyl]phenyl]methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10128243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).