4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C20H23N5O — CID 4996363

IUPAC4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15(2)17-4-6-18(7-5-17)23-20(26)25-11-9-24(10-12-25)19-8-3-16(13-21)14-22-19/h3-8,14-15H,9-12H2,1-2H3,(H,23,26)
InChIKeyCHPXPHSTLAJPSK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.43
Rot. Bonds3

About 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 4996363) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID4996363
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15(2)17-4-6-18(7-5-17)23-20(26)25-11-9-24(10-12-25)19-8-3-16(13-21)14-22-19/h3-8,14-15H,9-12H2,1-2H3,(H,23,26)
InChIKeyCHPXPHSTLAJPSK-UHFFFAOYSA-N
XLogP3.43
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.43
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-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 4996363) is 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is CHPXPHSTLAJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(2)17-4-6-18(7-5-17)23-20(26)25-11-9-24(10-12-25)19-8-3-16(13-21)14-22-19/h3-8,14-15H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.43, 3 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-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4996363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).