N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide

C22H28N6O — CID 15158054

IUPACN-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1ncc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)15-9-14-25-21(29)17-28-22(20-11-6-8-13-24-20)18(16-26-28)19-10-5-7-12-23-19/h5-8,10-13,16H,3-4,9,14-15,17H2,1-2H3,(H,25,29)
InChIKeyCZRZPIWMKJDPDF-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.86
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide

N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide (PubChem CID 15158054) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide
PubChem CID15158054
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1ncc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)15-9-14-25-21(29)17-28-22(20-11-6-8-13-24-20)18(16-26-28)19-10-5-7-12-23-19/h5-8,10-13,16H,3-4,9,14-15,17H2,1-2H3,(H,25,29)
InChIKeyCZRZPIWMKJDPDF-UHFFFAOYSA-N
XLogP2.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide (CID 15158054) is N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide is CCN(CC)CCCNC(=O)Cn1ncc(-c2ccccn2)c1-c1ccccn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide?
The InChIKey is CZRZPIWMKJDPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-27(4-2)15-9-14-25-21(29)17-28-22(20-11-6-8-13-24-20)18(16-26-28)19-10-5-7-12-23-19/h5-8,10-13,16H,3-4,9,14-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide has a molecular weight of 392.51 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 15158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).