4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide

C29H26N2O5 — CID 135407960

IUPAC4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccc(O)cc3)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C29H26N2O5/c1-35-26-14-10-21(17-27(26)36-2)25(33)13-15-29(34)31-28-18-22(19-8-11-23(32)12-9-19)16-24(30-28)20-6-4-3-5-7-20/h3-12,14,16-18,32H,13,15H2,1-2H3,(H,30,31,34)
InChIKeyFPFAHHUGRONLDD-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.74
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide

4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide (PubChem CID 135407960) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide
PubChem CID135407960
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccc(O)cc3)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C29H26N2O5/c1-35-26-14-10-21(17-27(26)36-2)25(33)13-15-29(34)31-28-18-22(19-8-11-23(32)12-9-19)16-24(30-28)20-6-4-3-5-7-20/h3-12,14,16-18,32H,13,15H2,1-2H3,(H,30,31,34)
InChIKeyFPFAHHUGRONLDD-UHFFFAOYSA-N
XLogP5.74
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide (CID 135407960) is 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccc(O)cc3)cc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide?
The InChIKey is FPFAHHUGRONLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-35-26-14-10-21(17-27(26)36-2)25(33)13-15-29(34)31-28-18-22(19-8-11-23(32)12-9-19)16-24(30-28)20-6-4-3-5-7-20/h3-12,14,16-18,32H,13,15H2,1-2H3,(H,30,31,34).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide?
4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide has a molecular weight of 482.54 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide is sourced from PubChem (CID 135407960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).