3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide

C22H24N4O2 — CID 122568538

IUPAC3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCC(=O)c1ccc(-c2cccc(C(=O)NCCCc3c(C)n[nH]c3C)c2)nc1
InChIInChI=1S/C22H24N4O2/c1-14-20(15(2)26-25-14)8-5-11-23-22(28)18-7-4-6-17(12-18)21-10-9-19(13-24-21)16(3)27/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyPVVBYGUQARAKDJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.65
Rot. Bonds7

About 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide

3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 122568538) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID122568538
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCC(=O)c1ccc(-c2cccc(C(=O)NCCCc3c(C)n[nH]c3C)c2)nc1
InChIInChI=1S/C22H24N4O2/c1-14-20(15(2)26-25-14)8-5-11-23-22(28)18-7-4-6-17(12-18)21-10-9-19(13-24-21)16(3)27/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyPVVBYGUQARAKDJ-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.65
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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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
CID 126440416
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
CID 118791459
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
CID 89102295
CID 89102295
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 1460215
6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56861576
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281
6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742411

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide (CID 122568538) is 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide is CC(=O)c1ccc(-c2cccc(C(=O)NCCCc3c(C)n[nH]c3C)c2)nc1.
What is the InChIKey of 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is PVVBYGUQARAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-20(15(2)26-25-14)8-5-11-23-22(28)18-7-4-6-17(12-18)21-10-9-19(13-24-21)16(3)27/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,28)(H,25,26).
What are the key properties of 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide?
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 122568538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).