N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide

C25H27N3O2 — CID 176576687

IUPACN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
SMILESCCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3cccc(C)c3)c2)c1
InChIInChI=1S/C25H27N3O2/c1-4-19-8-6-10-21(12-19)22-13-23(25(18(3)29)27-15-22)28-24(30)16-26-14-20-9-5-7-17(2)11-20/h5-13,15,26H,4,14,16H2,1-3H3,(H,28,30)
InChIKeyIQDXRRZPEYLZAQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.55
Rot. Bonds8

About N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide

N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide (PubChem CID 176576687) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
PubChem CID176576687
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
SMILESCCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3cccc(C)c3)c2)c1
InChIInChI=1S/C25H27N3O2/c1-4-19-8-6-10-21(12-19)22-13-23(25(18(3)29)27-15-22)28-24(30)16-26-14-20-9-5-7-17(2)11-20/h5-13,15,26H,4,14,16H2,1-3H3,(H,28,30)
InChIKeyIQDXRRZPEYLZAQ-UHFFFAOYSA-N
XLogP4.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 176580494
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
CID 176579481
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methyl-2-oxabicyclo[3.1.1]hept-4-en-4-yl)methylamino]acetamide;molecular hydrogen
CID 176581326
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide?
The IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide (CID 176576687) is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide is CCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3cccc(C)c3)c2)c1.
What is the InChIKey of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide?
The InChIKey is IQDXRRZPEYLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-19-8-6-10-21(12-19)22-13-23(25(18(3)29)27-15-22)28-24(30)16-26-14-20-9-5-7-17(2)11-20/h5-13,15,26H,4,14,16H2,1-3H3,(H,28,30).
What are the key properties of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide?
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 176576687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).