2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide

C26H29N3O2 — CID 176582208

IUPAC2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CNCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O2/c1-4-19-11-8-12-21(13-19)22-14-23(25(28-16-22)26(31)18(2)3)29-24(30)17-27-15-20-9-6-5-7-10-20/h5-14,16,18,27H,4,15,17H2,1-3H3,(H,29,30)
InChIKeyQIXOPHZNWWIIDD-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.88
Rot. Bonds9

About 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide

2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide (PubChem CID 176582208) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
PubChem CID176582208
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CNCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O2/c1-4-19-11-8-12-21(13-19)22-14-23(25(28-16-22)26(31)18(2)3)29-24(30)17-27-15-20-9-6-5-7-10-20/h5-14,16,18,27H,4,15,17H2,1-3H3,(H,29,30)
InChIKeyQIXOPHZNWWIIDD-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
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-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176578343
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
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
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide (CID 176582208) is 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide is CCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CNCc3ccccc3)c2)c1.
What is the InChIKey of 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The InChIKey is QIXOPHZNWWIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-4-19-11-8-12-21(13-19)22-14-23(25(28-16-22)26(31)18(2)3)29-24(30)17-27-15-20-9-6-5-7-10-20/h5-14,16,18,27H,4,15,17H2,1-3H3,(H,29,30).
What are the key properties of 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 176582208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).