2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

C19H21N5O — CID 91546597

IUPAC2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNCC1c1ncccc1C#N
InChIInChI=1S/C19H21N5O/c1-14-5-2-3-7-16(14)23-18(25)13-24-10-9-21-12-17(24)19-15(11-20)6-4-8-22-19/h2-8,17,21H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyLZRGUIRWDFPQPV-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.85
Rot. Bonds4

About 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide

2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 91546597) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID91546597
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNCC1c1ncccc1C#N
InChIInChI=1S/C19H21N5O/c1-14-5-2-3-7-16(14)23-18(25)13-24-10-9-21-12-17(24)19-15(11-20)6-4-8-22-19/h2-8,17,21H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyLZRGUIRWDFPQPV-UHFFFAOYSA-N
XLogP1.85
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 120870399
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-pyridin-2-yl-2-(2-pyridin-4-ylpiperazin-1-yl)acetamide
CID 66864946
N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
CID 79095358
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 91546597) is 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCNCC1c1ncccc1C#N.
What is the InChIKey of 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is LZRGUIRWDFPQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-5-2-3-7-16(14)23-18(25)13-24-10-9-21-12-17(24)19-15(11-20)6-4-8-22-19/h2-8,17,21H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 91546597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).