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

C26H34N4O5 — CID 145200759

IUPACN-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide
SMILESCCCCNC(=O)CC1=NN=C(c2c(O)c(-c3c(OC)cccc3OC)c(CCCC)[nH]c2=O)C1
InChIInChI=1S/C26H34N4O5/c1-5-7-10-17-22(24-19(34-3)11-9-12-20(24)35-4)25(32)23(26(33)28-17)18-14-16(29-30-18)15-21(31)27-13-8-6-2/h9,11-12H,5-8,10,13-15H2,1-4H3,(H,27,31)(H2,28,32,33)
InChIKeyYUGLWQQEVXXMIY-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.96
Rot. Bonds12

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

N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide (PubChem CID 145200759) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide
PubChem CID145200759
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide
SMILESCCCCNC(=O)CC1=NN=C(c2c(O)c(-c3c(OC)cccc3OC)c(CCCC)[nH]c2=O)C1
InChIInChI=1S/C26H34N4O5/c1-5-7-10-17-22(24-19(34-3)11-9-12-20(24)35-4)25(32)23(26(33)28-17)18-14-16(29-30-18)15-21(31)27-13-8-6-2/h9,11-12H,5-8,10,13-15H2,1-4H3,(H,27,31)(H2,28,32,33)
InChIKeyYUGLWQQEVXXMIY-UHFFFAOYSA-N
XLogP3.96
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
CID 145200726
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
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-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137304670
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 137106330
6-butyl-3-[5-[2-(4-chlorophenyl)-2-methylpropyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106225
6-butyl-3-[5-[(4-chloro-2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106302
6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione
CID 145200678
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 129032287

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide?
The IUPAC name of 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) is N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide is CCCCNC(=O)CC1=NN=C(c2c(O)c(-c3c(OC)cccc3OC)c(CCCC)[nH]c2=O)C1.
What is the InChIKey of N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide?
The InChIKey is YUGLWQQEVXXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-5-7-10-17-22(24-19(34-3)11-9-12-20(24)35-4)25(32)23(26(33)28-17)18-14-16(29-30-18)15-21(31)27-13-8-6-2/h9,11-12H,5-8,10,13-15H2,1-4H3,(H,27,31)(H2,28,32,33).
What are the key properties of N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide?
N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 3.96, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 145200759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).