[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate

C24H24N2O4 — CID 18468976

IUPAC[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate
SMILESCC(=O)On1c(Cc2ccccc2)ccc(NC(=O)CCCc2ccccc2)c1=O
InChIInChI=1S/C24H24N2O4/c1-18(27)30-26-21(17-20-11-6-3-7-12-20)15-16-22(24(26)29)25-23(28)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,25,28)
InChIKeyUAEOGCNQKAPMTH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.38
Rot. Bonds8

About [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate

[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate (PubChem CID 18468976) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate.

Molecular Properties

Compound Name[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate
PubChem CID18468976
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate
SMILESCC(=O)On1c(Cc2ccccc2)ccc(NC(=O)CCCc2ccccc2)c1=O
InChIInChI=1S/C24H24N2O4/c1-18(27)30-26-21(17-20-11-6-3-7-12-20)15-16-22(24(26)29)25-23(28)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,25,28)
InChIKeyUAEOGCNQKAPMTH-UHFFFAOYSA-N
XLogP3.38
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-benzyl-2-oxo-1-propan-2-yl-3-pyridinyl)-3-phenylpropanamide
CID 57296806
[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate
CID 174378848
N-(6-benzyl-1-ethyl-2-oxo-3-pyridinyl)acetamide
CID 21057251
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
CID 66853821
(3S)-3-[acetyl-[2-oxo-6-(2-phenylethyl)-3-(3-phenylpropanoylamino)-1-pyridinyl]amino]-4-oxobutanoic acid
CID 91425526

Frequently Asked Questions

What is the IUPAC name of [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate?
The IUPAC name of [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate (CID 18468976) is [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate.
What is the SMILES notation for [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate?
The canonical SMILES for [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate is CC(=O)On1c(Cc2ccccc2)ccc(NC(=O)CCCc2ccccc2)c1=O.
What is the InChIKey of [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate?
The InChIKey is UAEOGCNQKAPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-18(27)30-26-21(17-20-11-6-3-7-12-20)15-16-22(24(26)29)25-23(28)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,25,28).
What are the key properties of [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate?
[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate has a molecular weight of 404.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate is sourced from PubChem (CID 18468976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).