N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide

C22H20N4O3 — CID 58342254

IUPACN-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide
SMILESCC(=O)C(=O)NCCNC(=O)c1cc(-c2cccnc2)cc(-c2cccnc2)c1
InChIInChI=1S/C22H20N4O3/c1-15(27)21(28)25-8-9-26-22(29)20-11-18(16-4-2-6-23-13-16)10-19(12-20)17-5-3-7-24-14-17/h2-7,10-14H,8-9H2,1H3,(H,25,28)(H,26,29)
InChIKeyTWXASVCWTAAUJX-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide

N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide (PubChem CID 58342254) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide
PubChem CID58342254
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide
SMILESCC(=O)C(=O)NCCNC(=O)c1cc(-c2cccnc2)cc(-c2cccnc2)c1
InChIInChI=1S/C22H20N4O3/c1-15(27)21(28)25-8-9-26-22(29)20-11-18(16-4-2-6-23-13-16)10-19(12-20)17-5-3-7-24-14-17/h2-7,10-14H,8-9H2,1H3,(H,25,28)(H,26,29)
InChIKeyTWXASVCWTAAUJX-UHFFFAOYSA-N
XLogP2.25
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111227620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide?
The IUPAC name of N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide (CID 58342254) is N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide.
What is the SMILES notation for N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide?
The canonical SMILES for N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide is CC(=O)C(=O)NCCNC(=O)c1cc(-c2cccnc2)cc(-c2cccnc2)c1.
What is the InChIKey of N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide?
The InChIKey is TWXASVCWTAAUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(27)21(28)25-8-9-26-22(29)20-11-18(16-4-2-6-23-13-16)10-19(12-20)17-5-3-7-24-14-17/h2-7,10-14H,8-9H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide?
N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide is sourced from PubChem (CID 58342254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).