2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide

C18H20BrClN4O — CID 102563458

IUPAC2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCc1ccnc(N2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1Br
InChIInChI=1S/C18H20BrClN4O/c1-12-6-7-22-18(15(12)19)24-10-8-23(9-11-24)16(17(21)25)13-2-4-14(20)5-3-13/h2-7,16H,8-11H2,1H3,(H2,21,25)
InChIKeyXVVUJZVLTVEAPN-UHFFFAOYSA-N
MW423.74 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide

2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 102563458) has the molecular formula C18H20BrClN4O and a molecular weight of 423.74 g/mol. Its IUPAC name is 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
PubChem CID102563458
Molecular FormulaC18H20BrClN4O
Molecular Weight423.74 g/mol
Exact Mass422.05
IUPAC Name2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCc1ccnc(N2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1Br
InChIInChI=1S/C18H20BrClN4O/c1-12-6-7-22-18(15(12)19)24-10-8-23(9-11-24)16(17(21)25)13-2-4-14(20)5-3-13/h2-7,16H,8-11H2,1H3,(H2,21,25)
InChIKeyXVVUJZVLTVEAPN-UHFFFAOYSA-N
XLogP3.15
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 106875388
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25385246
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133467756
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 106875241
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 133359105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide (CID 102563458) is 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide is Cc1ccnc(N2CCN(C(C(N)=O)c3ccc(Cl)cc3)CC2)c1Br.
What is the InChIKey of 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is XVVUJZVLTVEAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN4O/c1-12-6-7-22-18(15(12)19)24-10-8-23(9-11-24)16(17(21)25)13-2-4-14(20)5-3-13/h2-7,16H,8-11H2,1H3,(H2,21,25).
What are the key properties of 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide?
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 423.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 102563458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).