N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C18H21N3O4S — CID 4826777

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(26(24,25)21-9-3-2-4-10-21)11-16(13)20-18(23)14-6-8-17(22)19-12-14/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeySHOOVLQEMDODGY-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.11
Rot. Bonds4

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4826777) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4826777
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(26(24,25)21-9-3-2-4-10-21)11-16(13)20-18(23)14-6-8-17(22)19-12-14/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeySHOOVLQEMDODGY-UHFFFAOYSA-N
XLogP2.11
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 4826777) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SHOOVLQEMDODGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-5-7-15(26(24,25)21-9-3-2-4-10-21)11-16(13)20-18(23)14-6-8-17(22)19-12-14/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).