N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide

C23H25FN4O2 — CID 91261935

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide
SMILESC=CC(=C)c1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cn2)cc1F
InChIInChI=1S/C23H25FN4O2/c1-4-16(2)20-7-5-18(13-21(20)24)14-23(30)26-22-8-6-19(15-25-22)28-11-9-27(10-12-28)17(3)29/h4-8,13,15H,1-2,9-12,14H2,3H3,(H,25,26,30)
InChIKeyNSEBJDCTRLHJQJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.27
Rot. Bonds6

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide (PubChem CID 91261935) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide
PubChem CID91261935
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide
SMILESC=CC(=C)c1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cn2)cc1F
InChIInChI=1S/C23H25FN4O2/c1-4-16(2)20-7-5-18(13-21(20)24)14-23(30)26-22-8-6-19(15-25-22)28-11-9-27(10-12-28)17(3)29/h4-8,13,15H,1-2,9-12,14H2,3H3,(H,25,26,30)
InChIKeyNSEBJDCTRLHJQJ-UHFFFAOYSA-N
XLogP3.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]acetamide
CID 46927436
2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024851
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 151345753
1-ethyl-3-propan-2-yl-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]pyrazole-5-carboxamide
CID 172888047
2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 90919715
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide (CID 91261935) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide is C=CC(=C)c1ccc(CC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cn2)cc1F.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide?
The InChIKey is NSEBJDCTRLHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-4-16(2)20-7-5-18(13-21(20)24)14-23(30)26-22-8-6-19(15-25-22)28-11-9-27(10-12-28)17(3)29/h4-8,13,15H,1-2,9-12,14H2,3H3,(H,25,26,30).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide is sourced from PubChem (CID 91261935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).