N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide

C26H23N5O6 — CID 135601828

About N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide (PubChem CID 135601828) has the molecular formula C26H23N5O6 and a molecular weight of 501.50 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide
• PubChem CID: 135601828
• Molecular Formula: C26H23N5O6
• Molecular Weight: 501.50 g/mol
• Exact Mass: 501.16
• IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide
• SMILES: COc1cccc(CNC(=O)c2nc(-c3ccccc3NC(=O)c3ccncc3)[nH]c(=O)c2O)c1OC
• InChI: InChI=1S/C26H23N5O6/c1-36-19-9-5-6-16(22(19)37-2)14-28-25(34)20-21(32)26(35)31-23(30-20)17-7-3-4-8-18(17)29-24(33)15-10-12-27-13-11-15/h3-13,32H,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,31,35)
• InChIKey: WMQNWYOLAHNODS-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 155.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.50
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide?

The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide (CID 135601828) is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide?

The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2nc(-c3ccccc3NC(=O)c3ccncc3)[nH]c(=O)c2O)c1OC.

What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide?

The InChIKey is WMQNWYOLAHNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O6/c1-36-19-9-5-6-16(22(19)37-2)14-28-25(34)20-21(32)26(35)31-23(30-20)17-7-3-4-8-18(17)29-24(33)15-10-12-27-13-11-15/h3-13,32H,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,31,35).

What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide?

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 501.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyridine-4-carbonylamino)phenyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).