N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide

C25H28N2O5 — CID 164617222

IUPACN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C25H28N2O5/c1-4-5-12-17-20(21-18(31-2)13-9-14-19(21)32-3)23(28)22(25(30)27-17)24(29)26-15-16-10-7-6-8-11-16/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,26,29)(H2,27,28,30)
InChIKeyKMUPUZGUBANICT-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.04
Rot. Bonds9

About N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide

N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 164617222) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
PubChem CID164617222
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C25H28N2O5/c1-4-5-12-17-20(21-18(31-2)13-9-14-19(21)32-3)23(28)22(25(30)27-17)24(29)26-15-16-10-7-6-8-11-16/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,26,29)(H2,27,28,30)
InChIKeyKMUPUZGUBANICT-UHFFFAOYSA-N
XLogP4.04
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide 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 N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide (CID 164617222) is N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide is CCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KMUPUZGUBANICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-5-12-17-20(21-18(31-2)13-9-14-19(21)32-3)23(28)22(25(30)27-17)24(29)26-15-16-10-7-6-8-11-16/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 164617222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).