2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C20H23N5O — CID 35919099

IUPAC2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1C
InChIInChI=1S/C20H23N5O/c1-15-4-3-5-18(16(15)2)23-20(26)14-24-8-10-25(11-9-24)19-7-6-17(12-21)13-22-19/h3-7,13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyHRUPSIBSHBYWMF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 35919099) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID35919099
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1C
InChIInChI=1S/C20H23N5O/c1-15-4-3-5-18(16(15)2)23-20(26)14-24-8-10-25(11-9-24)19-7-6-17(12-21)13-22-19/h3-7,13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyHRUPSIBSHBYWMF-UHFFFAOYSA-N
XLogP2.33
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 133272011
2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919090
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 153358176
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
N-(2,3-dimethylphenyl)-2-[4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 126781490
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
CID 133424314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 35919099) is 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1C.
What is the InChIKey of 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is HRUPSIBSHBYWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-4-3-5-18(16(15)2)23-20(26)14-24-8-10-25(11-9-24)19-7-6-17(12-21)13-22-19/h3-7,13H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 35919099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).