4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C24H28N6O — CID 121112852

IUPAC4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C24H28N6O/c1-24(2,3)19-9-7-18(8-10-19)22(31)28-20-16-26-23(27-17-20)30-14-12-29(13-15-30)21-6-4-5-11-25-21/h4-11,16-17H,12-15H2,1-3H3,(H,28,31)
InChIKeyAKCUFEJRWSFGDH-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.75
Rot. Bonds4

About 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112852) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112852
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1
InChIInChI=1S/C24H28N6O/c1-24(2,3)19-9-7-18(8-10-19)22(31)28-20-16-26-23(27-17-20)30-14-12-29(13-15-30)21-6-4-5-11-25-21/h4-11,16-17H,12-15H2,1-3H3,(H,28,31)
InChIKeyAKCUFEJRWSFGDH-UHFFFAOYSA-N
XLogP3.75
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 121112852) is 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is AKCUFEJRWSFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-24(2,3)19-9-7-18(8-10-19)22(31)28-20-16-26-23(27-17-20)30-14-12-29(13-15-30)21-6-4-5-11-25-21/h4-11,16-17H,12-15H2,1-3H3,(H,28,31).
What are the key properties of 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).