N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C19H25ClN4O3S — CID 119515348

IUPACN-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)cc1C.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13-3-5-17(11-14(13)2)27(25,26)23-9-7-15(8-10-23)19(24)22-16-4-6-18(20)21-12-16;/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,21)(H,22,24);1H
InChIKeyOMAGZEDHTKIVEO-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.74
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119515348) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119515348
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)cc1C.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13-3-5-17(11-14(13)2)27(25,26)23-9-7-15(8-10-23)19(24)22-16-4-6-18(20)21-12-16;/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,21)(H,22,24);1H
InChIKeyOMAGZEDHTKIVEO-UHFFFAOYSA-N
XLogP2.74
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;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-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(3,4-dimethylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919419
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-[4-(difluoromethylsulfanyl)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26499251

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119515348) is N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)cc1C.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is OMAGZEDHTKIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-13-3-5-17(11-14(13)2)27(25,26)23-9-7-15(8-10-23)19(24)22-16-4-6-18(20)21-12-16;/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,21)(H,22,24);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 2.74, 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)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119515348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).