N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C21H22N4O3S — CID 5309303

IUPACN-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C21H22N4O3S/c1-15-5-2-9-19(23-15)24-21(26)17-10-13-25(14-11-17)29(27,28)18-8-3-6-16-7-4-12-22-20(16)18/h2-9,12,17H,10-11,13-14H2,1H3,(H,23,24,26)
InChIKeyREQHXJRDYVKHBQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.98
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309303) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309303
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C21H22N4O3S/c1-15-5-2-9-19(23-15)24-21(26)17-10-13-25(14-11-17)29(27,28)18-8-3-6-16-7-4-12-22-20(16)18/h2-9,12,17H,10-11,13-14H2,1H3,(H,23,24,26)
InChIKeyREQHXJRDYVKHBQ-UHFFFAOYSA-N
XLogP2.98
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309303) is N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is REQHXJRDYVKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15-5-2-9-19(23-15)24-21(26)17-10-13-25(14-11-17)29(27,28)18-8-3-6-16-7-4-12-22-20(16)18/h2-9,12,17H,10-11,13-14H2,1H3,(H,23,24,26).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).