N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide

C19H20BrN5O — CID 36632091

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(Br)c1
InChIInChI=1S/C19H20BrN5O/c1-14-2-3-17(16(20)10-14)23-19(26)13-24-6-8-25(9-7-24)18-11-15(12-21)4-5-22-18/h2-5,10-11H,6-9,13H2,1H3,(H,23,26)
InChIKeyXZDYJCOKDQJFJC-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.78
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 36632091) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID36632091
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(Br)c1
InChIInChI=1S/C19H20BrN5O/c1-14-2-3-17(16(20)10-14)23-19(26)13-24-6-8-25(9-7-24)18-11-15(12-21)4-5-22-18/h2-5,10-11H,6-9,13H2,1H3,(H,23,26)
InChIKeyXZDYJCOKDQJFJC-UHFFFAOYSA-N
XLogP2.78
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 5038934
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637072
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875427
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide (CID 36632091) is N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is XZDYJCOKDQJFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-14-2-3-17(16(20)10-14)23-19(26)13-24-6-8-25(9-7-24)18-11-15(12-21)4-5-22-18/h2-5,10-11H,6-9,13H2,1H3,(H,23,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 414.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).