4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide

C21H25N5O — CID 166633635

IUPAC4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-16(2)13-17-3-6-19(7-4-17)24-21(27)26-11-9-25(10-12-26)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3,(H,24,27)
InChIKeyZNEBSNRLAVKCSV-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds4

About 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide (PubChem CID 166633635) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide
PubChem CID166633635
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-16(2)13-17-3-6-19(7-4-17)24-21(27)26-11-9-25(10-12-26)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3,(H,24,27)
InChIKeyZNEBSNRLAVKCSV-UHFFFAOYSA-N
XLogP3.51
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide (CID 166633635) is 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide is CC(C)Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZNEBSNRLAVKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(2)13-17-3-6-19(7-4-17)24-21(27)26-11-9-25(10-12-26)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3,(H,24,27).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-[4-(2-methylpropyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 166633635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).