6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

C18H22N4O3S — CID 60581974

IUPAC6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C18H22N4O3S/c1-14-5-3-8-17(19-14)18(23)20-15-6-4-7-16(13-15)26(24,25)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyXOABSICCSGBPGK-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.58
Rot. Bonds4

About 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (PubChem CID 60581974) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
PubChem CID60581974
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C18H22N4O3S/c1-14-5-3-8-17(19-14)18(23)20-15-6-4-7-16(13-15)26(24,25)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyXOABSICCSGBPGK-UHFFFAOYSA-N
XLogP1.58
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
3-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]benzamide;dihydrochloride
CID 119876383
N-(3-iodo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 29295525
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 99968936
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (CID 60581974) is 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1.
What is the InChIKey of 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The InChIKey is XOABSICCSGBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-5-3-8-17(19-14)18(23)20-15-6-4-7-16(13-15)26(24,25)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60581974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).