N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C18H23ClN4O3S — CID 119516218

IUPACN-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C18H22N4O3S.ClH/c1-13-5-2-3-10-22(13)26(24,25)16-7-4-6-14(11-16)18(23)21-15-8-9-17(19)20-12-15;/h4,6-9,11-13H,2-3,5,10H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyINNHPRDRZWBDEF-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.90
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119516218) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119516218
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C18H22N4O3S.ClH/c1-13-5-2-3-10-22(13)26(24,25)16-7-4-6-14(11-16)18(23)21-15-8-9-17(19)20-12-15;/h4,6-9,11-13H,2-3,5,10H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyINNHPRDRZWBDEF-UHFFFAOYSA-N
XLogP2.90
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride 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

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134024993
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119515813
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
3-(2-methylpiperidin-1-yl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55881490

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119516218) is N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is INNHPRDRZWBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S.ClH/c1-13-5-2-3-10-22(13)26(24,25)16-7-4-6-14(11-16)18(23)21-15-8-9-17(19)20-12-15;/h4,6-9,11-13H,2-3,5,10H2,1H3,(H2,19,20)(H,21,23);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 410.93 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119516218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).