5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid

C26H27N3O4S — CID 53024899

IUPAC5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C26H27N3O4S/c1-17-8-9-24(19(3)14-17)34(32,33)28-21-15-23(26(30)31)25(27-16-21)29-12-10-20(11-13-29)22-7-5-4-6-18(22)2/h4-10,14-16,28H,11-13H2,1-3H3,(H,30,31)
InChIKeyXOXVTYFKCJQUEW-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.80
Rot. Bonds6

About 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid

5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid (PubChem CID 53024899) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
PubChem CID53024899
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C26H27N3O4S/c1-17-8-9-24(19(3)14-17)34(32,33)28-21-15-23(26(30)31)25(27-16-21)29-12-10-20(11-13-29)22-7-5-4-6-18(22)2/h4-10,14-16,28H,11-13H2,1-3H3,(H,30,31)
InChIKeyXOXVTYFKCJQUEW-UHFFFAOYSA-N
XLogP4.80
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid (CID 53024899) is 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)O)c2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is XOXVTYFKCJQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-8-9-24(19(3)14-17)34(32,33)28-21-15-23(26(30)31)25(27-16-21)29-12-10-20(11-13-29)22-7-5-4-6-18(22)2/h4-10,14-16,28H,11-13H2,1-3H3,(H,30,31).
What are the key properties of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid?
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 477.59 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).