1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C19H25N3O4S — CID 9281789

IUPAC1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCOc1ccc(CN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C2CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-20(2)27(24,25)18-10-11-19(23)22(13-18)14-21(16-6-7-16)12-15-4-8-17(26-3)9-5-15/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3
InChIKeyJDJCTUIQOWIXFE-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.73
Rot. Bonds8

About 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 9281789) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID9281789
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCOc1ccc(CN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C2CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-20(2)27(24,25)18-10-11-19(23)22(13-18)14-21(16-6-7-16)12-15-4-8-17(26-3)9-5-15/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3
InChIKeyJDJCTUIQOWIXFE-UHFFFAOYSA-N
XLogP1.73
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide
CID 137402503
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9285878
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914
(3aR,7aR)-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9281694
1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9235600
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 32517776
1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9317403
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9281596
1-benzyl-3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione
CID 9281729
2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione
CID 9281547

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 9281789) is 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is COc1ccc(CN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C2CC2)cc1.
What is the InChIKey of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is JDJCTUIQOWIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20(2)27(24,25)18-10-11-19(23)22(13-18)14-21(16-6-7-16)12-15-4-8-17(26-3)9-5-15/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3.
What are the key properties of 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9281789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).