2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid

C25H26N2O5 — CID 67870795

IUPAC2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
SMILESCCCCc1cc(O)c(NC(C)=O)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H26N2O5/c1-3-4-7-19-14-22(29)23(26-16(2)28)24(30)27(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)25(31)32/h5-6,8-14,29H,3-4,7,15H2,1-2H3,(H,26,28)(H,31,32)
InChIKeyMOPSYRWCTPUCPE-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.27
Rot. Bonds8

About 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid

2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid (PubChem CID 67870795) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
PubChem CID67870795
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
SMILESCCCCc1cc(O)c(NC(C)=O)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H26N2O5/c1-3-4-7-19-14-22(29)23(26-16(2)28)24(30)27(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)25(31)32/h5-6,8-14,29H,3-4,7,15H2,1-2H3,(H,26,28)(H,31,32)
InChIKeyMOPSYRWCTPUCPE-UHFFFAOYSA-N
XLogP4.27
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid with MolForge

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Related Compounds

2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid
CID 59830904
2-[4-[(3-butan-2-yl-5-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
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2-[4-[(3-benzyl-5-hexyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741024
2-[4-[(3-benzyl-5-butyl-4-fluoro-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
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2-[4-[[5-butyl-4-(fluoromethyl)-2-oxo-3-pentylimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19741148
2-[4-[[3-butyl-5-oxo-1-(2-phenylethyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzoic acid
CID 90812924
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557
2-[4-[(3-butyl-4-hydroxy-7-methoxy-2-oxoquinolin-1-yl)methyl]phenyl]benzoic acid
CID 54733343
2-[4-[(5-butyl-4-methyl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740351
2-[4-[[3-benzoyl-5-butyl-4-(fluoromethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19740119
2-[4-[[5-butyl-4-(dimethoxymethyl)-3-(2-methylpropyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19741017
2-[4-[(3-butyl-4-chloro-2-oxo-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741513

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid (CID 67870795) is 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid is CCCCc1cc(O)c(NC(C)=O)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid?
The InChIKey is MOPSYRWCTPUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-3-4-7-19-14-22(29)23(26-16(2)28)24(30)27(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)25(31)32/h5-6,8-14,29H,3-4,7,15H2,1-2H3,(H,26,28)(H,31,32).
What are the key properties of 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid?
2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid has a molecular weight of 434.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 67870795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).