6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid

C25H32N2O6 — CID 69448881

IUPAC6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)OC(C)(C)C)c(C)nc(CNC(=O)OC(C)(C)C)c2C(=O)O)cc1
InChIInChI=1S/C25H32N2O6/c1-14-9-11-16(12-10-14)19-18(22(30)32-24(3,4)5)15(2)27-17(20(19)21(28)29)13-26-23(31)33-25(6,7)8/h9-12H,13H2,1-8H3,(H,26,31)(H,28,29)
InChIKeyOOCRVHRBSYMJNB-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.04
Rot. Bonds5

About 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid

6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 69448881) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
PubChem CID69448881
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)OC(C)(C)C)c(C)nc(CNC(=O)OC(C)(C)C)c2C(=O)O)cc1
InChIInChI=1S/C25H32N2O6/c1-14-9-11-16(12-10-14)19-18(22(30)32-24(3,4)5)15(2)27-17(20(19)21(28)29)13-26-23(31)33-25(6,7)8/h9-12H,13H2,1-8H3,(H,26,31)(H,28,29)
InChIKeyOOCRVHRBSYMJNB-UHFFFAOYSA-N
XLogP5.04
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid (CID 69448881) is 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid is Cc1ccc(-c2c(C(=O)OC(C)(C)C)c(C)nc(CNC(=O)OC(C)(C)C)c2C(=O)O)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is OOCRVHRBSYMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-14-9-11-16(12-10-14)19-18(22(30)32-24(3,4)5)15(2)27-17(20(19)21(28)29)13-26-23(31)33-25(6,7)8/h9-12H,13H2,1-8H3,(H,26,31)(H,28,29).
What are the key properties of 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid?
6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 456.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 69448881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).