N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide

C23H23Cl2N3O2 — CID 127028742

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-11-10-18(14-20(19)25)15-27-22(29)16-28-13-5-9-21(23(28)30)26-12-4-8-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,26H,4,8,12,15-16H2,(H,27,29)
InChIKeyJHGWBUAUOCHNKJ-UHFFFAOYSA-N
MW444.36 g/mol
LogP4.52
Rot. Bonds9

About N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide (PubChem CID 127028742) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
PubChem CID127028742
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O2/c24-19-11-10-18(14-20(19)25)15-27-22(29)16-28-13-5-9-21(23(28)30)26-12-4-8-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,26H,4,8,12,15-16H2,(H,27,29)
InChIKeyJHGWBUAUOCHNKJ-UHFFFAOYSA-N
XLogP4.52
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide (CID 127028742) is N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide is O=C(Cn1cccc(NCCCc2ccccc2)c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
The InChIKey is JHGWBUAUOCHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c24-19-11-10-18(14-20(19)25)15-27-22(29)16-28-13-5-9-21(23(28)30)26-12-4-8-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,26H,4,8,12,15-16H2,(H,27,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide has a molecular weight of 444.36 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide is sourced from PubChem (CID 127028742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).