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

C19H24N4O5 — CID 135601847

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

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601847) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide
• PubChem CID: 135601847
• Molecular Formula: C19H24N4O5
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.17
• IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide
• SMILES: COc1cccc(CNC(=O)c2nc(C3CCCCN3)[nH]c(=O)c2O)c1OC
• InChI: InChI=1S/C19H24N4O5/c1-27-13-8-5-6-11(16(13)28-2)10-21-18(25)14-15(24)19(26)23-17(22-14)12-7-3-4-9-20-12/h5-6,8,12,20,24H,3-4,7,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
• InChIKey: XECWBRHKFULYAG-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 125.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide (CID 135601847) is N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide.

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

The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2nc(C3CCCCN3)[nH]c(=O)c2O)c1OC.

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

The InChIKey is XECWBRHKFULYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-27-13-8-5-6-11(16(13)28-2)10-21-18(25)14-15(24)19(26)23-17(22-14)12-7-3-4-9-20-12/h5-6,8,12,20,24H,3-4,7,9-10H2,1-2H3,(H,21,25)(H,22,23,26).

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

N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-piperidin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).