4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C19H22N6O — CID 139532098

IUPAC4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)nc3)CC2)cc1
InChIInChI=1S/C19H22N6O/c1-14(2)15-3-5-16(6-4-15)23-19(26)25-9-7-24(8-10-25)17-12-21-18(11-20)22-13-17/h3-6,12-14H,7-10H2,1-2H3,(H,23,26)
InChIKeyWPTXILPEPSAYFP-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.83
Rot. Bonds3

About 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 139532098) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID139532098
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)nc3)CC2)cc1
InChIInChI=1S/C19H22N6O/c1-14(2)15-3-5-16(6-4-15)23-19(26)25-9-7-24(8-10-25)17-12-21-18(11-20)22-13-17/h3-6,12-14H,7-10H2,1-2H3,(H,23,26)
InChIKeyWPTXILPEPSAYFP-UHFFFAOYSA-N
XLogP2.83
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 139532098) is 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)nc3)CC2)cc1.
What is the InChIKey of 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WPTXILPEPSAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(2)15-3-5-16(6-4-15)23-19(26)25-9-7-24(8-10-25)17-12-21-18(11-20)22-13-17/h3-6,12-14H,7-10H2,1-2H3,(H,23,26).
What are the key properties of 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 139532098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).