N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C19H24N4O3S — CID 119515400

IUPACN-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O3S/c1-13-3-5-17(14(2)11-13)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)
InChIKeyKQFKGEXIVJIWFU-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.32
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119515400) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119515400
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O3S/c1-13-3-5-17(14(2)11-13)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)
InChIKeyKQFKGEXIVJIWFU-UHFFFAOYSA-N
XLogP2.32
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119515348
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 119515400) is N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)c(C)c1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KQFKGEXIVJIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-3-5-17(14(2)11-13)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).
What are the key properties of N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.32, 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-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119515400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).