2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide

C20H24BrF3N6O — CID 151345753

IUPAC2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESCCNNN1CCN(c2ccc(NC(=O)Cc3ccc(Br)c(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C20H24BrF3N6O/c1-2-26-28-30-9-7-29(8-10-30)15-4-6-18(25-13-15)27-19(31)12-14-3-5-17(21)16(11-14)20(22,23)24/h3-6,11,13,26,28H,2,7-10,12H2,1H3,(H,25,27,31)
InChIKeyOLKQXTDRZCTXDX-UHFFFAOYSA-N
MW501.35 g/mol
LogP3.20
Rot. Bonds7

About 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide

2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 151345753) has the molecular formula C20H24BrF3N6O and a molecular weight of 501.35 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide
PubChem CID151345753
Molecular FormulaC20H24BrF3N6O
Molecular Weight501.35 g/mol
Exact Mass500.11
IUPAC Name2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESCCNNN1CCN(c2ccc(NC(=O)Cc3ccc(Br)c(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C20H24BrF3N6O/c1-2-26-28-30-9-7-29(8-10-30)15-4-6-18(25-13-15)27-19(31)12-14-3-5-17(21)16(11-14)20(22,23)24/h3-6,11,13,26,28H,2,7-10,12H2,1H3,(H,25,27,31)
InChIKeyOLKQXTDRZCTXDX-UHFFFAOYSA-N
XLogP3.20
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.35
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide
CID 172833764
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide
CID 91261935
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024851
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]acetamide
CID 46927436
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
CID 118212046
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide (CID 151345753) is 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide is CCNNN1CCN(c2ccc(NC(=O)Cc3ccc(Br)c(C(F)(F)F)c3)nc2)CC1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The InChIKey is OLKQXTDRZCTXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrF3N6O/c1-2-26-28-30-9-7-29(8-10-30)15-4-6-18(25-13-15)27-19(31)12-14-3-5-17(21)16(11-14)20(22,23)24/h3-6,11,13,26,28H,2,7-10,12H2,1H3,(H,25,27,31).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide?
2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 501.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)phenyl]-N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 151345753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).