N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide

C28H30N4O5 — CID 145200726

IUPACN-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
SMILESCCCCc1[nH]c(=O)c(C2=NN=C(CNC(=O)c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C28H30N4O5/c1-4-5-12-19-23(25-21(36-2)13-9-14-22(25)37-3)26(33)24(28(35)30-19)20-15-18(31-32-20)16-29-27(34)17-10-7-6-8-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,29,34)(H2,30,33,35)
InChIKeyLULFWPYPICRJCG-UHFFFAOYSA-N
MW502.57 g/mol
LogP4.09
Rot. Bonds10

About N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide

N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide (PubChem CID 145200726) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
PubChem CID145200726
Molecular FormulaC28H30N4O5
Molecular Weight502.57 g/mol
Exact Mass502.22
IUPAC NameN-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
SMILESCCCCc1[nH]c(=O)c(C2=NN=C(CNC(=O)c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C28H30N4O5/c1-4-5-12-19-23(25-21(36-2)13-9-14-22(25)37-3)26(33)24(28(35)30-19)20-15-18(31-32-20)16-29-27(34)17-10-7-6-8-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,29,34)(H2,30,33,35)
InChIKeyLULFWPYPICRJCG-UHFFFAOYSA-N
XLogP4.09
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one
CID 145200862
N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide
CID 145200759
6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one;1-(3-chlorophenyl)ethanone;ethane
CID 145200910
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 137106247
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 137106234
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 146342580
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137304670
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032147
N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 137106193

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide?
The IUPAC name of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide (CID 145200726) is N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide is CCCCc1[nH]c(=O)c(C2=NN=C(CNC(=O)c3ccccc3)C2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide?
The InChIKey is LULFWPYPICRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-4-5-12-19-23(25-21(36-2)13-9-14-22(25)37-3)26(33)24(28(35)30-19)20-15-18(31-32-20)16-29-27(34)17-10-7-6-8-11-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,29,34)(H2,30,33,35).
What are the key properties of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide?
N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide has a molecular weight of 502.57 g/mol, XLogP of 4.09, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 145200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).