8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide

C23H28N4O5S — CID 59854219

IUPAC8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
SMILESCCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12
InChIInChI=1S/C23H28N4O5S/c1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h7-12,14,28H,6,13H2,1-5H3,(H,26,29)
InChIKeyUEQSKUVXVOBCLU-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.19
Rot. Bonds8

About 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide

8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide (PubChem CID 59854219) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
PubChem CID59854219
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
SMILESCCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12
InChIInChI=1S/C23H28N4O5S/c1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h7-12,14,28H,6,13H2,1-5H3,(H,26,29)
InChIKeyUEQSKUVXVOBCLU-UHFFFAOYSA-N
XLogP3.19
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
CID 90711305
5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide
CID 89291052
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
8-hydroxy-N-(3-methoxyphenyl)quinoline-4-sulfonamide
CID 11158687
N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
CID 22346274
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbutanamide
CID 7573869

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide (CID 59854219) is 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide is CCCS(=O)(=O)N(C)c1nc(C(=O)NC(C)(C)c2cccc(OC)c2)c(O)c2ncccc12.
What is the InChIKey of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide?
The InChIKey is UEQSKUVXVOBCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-6-13-33(30,31)27(4)21-17-11-8-12-24-18(17)20(28)19(25-21)22(29)26-23(2,3)15-9-7-10-16(14-15)32-5/h7-12,14,28H,6,13H2,1-5H3,(H,26,29).
What are the key properties of 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide?
8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 59854219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).