6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide

C16H22N4O2S — CID 146149401

IUPAC6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)N(C)c2ccccc2)cnc1N
InChIInChI=1S/C16H22N4O2S/c1-12-9-15(11-18-16(12)17)23(21,22)19-10-13(2)20(3)14-7-5-4-6-8-14/h4-9,11,13,19H,10H2,1-3H3,(H2,17,18)
InChIKeyUGHDEKWMCOSWSR-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.78
Rot. Bonds6

About 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide

6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide (PubChem CID 146149401) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide
PubChem CID146149401
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)N(C)c2ccccc2)cnc1N
InChIInChI=1S/C16H22N4O2S/c1-12-9-15(11-18-16(12)17)23(21,22)19-10-13(2)20(3)14-7-5-4-6-8-14/h4-9,11,13,19H,10H2,1-3H3,(H2,17,18)
InChIKeyUGHDEKWMCOSWSR-UHFFFAOYSA-N
XLogP1.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323
6-amino-5-methyl-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 98020919
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
CID 166378294
N-ethyl-5-methyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96665001
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55721364
6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 146105117
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide (CID 146149401) is 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(C)N(C)c2ccccc2)cnc1N.
What is the InChIKey of 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The InChIKey is UGHDEKWMCOSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-9-15(11-18-16(12)17)23(21,22)19-10-13(2)20(3)14-7-5-4-6-8-14/h4-9,11,13,19H,10H2,1-3H3,(H2,17,18).
What are the key properties of 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide?
6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 146149401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).