6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide

C16H19N3O3S — CID 6498635

IUPAC6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-7-15(8-4-12)23(21,22)19-10-9-17-16(20)14-6-5-13(2)18-11-14/h3-8,11,19H,9-10H2,1-2H3,(H,17,20)
InChIKeyNXLAHMGDXUMTCC-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.41
Rot. Bonds6

About 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide

6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide (PubChem CID 6498635) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
PubChem CID6498635
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-7-15(8-4-12)23(21,22)19-10-9-17-16(20)14-6-5-13(2)18-11-14/h3-8,11,19H,9-10H2,1-2H3,(H,17,20)
InChIKeyNXLAHMGDXUMTCC-UHFFFAOYSA-N
XLogP1.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide (CID 6498635) is 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is NXLAHMGDXUMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-3-7-15(8-4-12)23(21,22)19-10-9-17-16(20)14-6-5-13(2)18-11-14/h3-8,11,19H,9-10H2,1-2H3,(H,17,20).
What are the key properties of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).