2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide

C22H25N7O — CID 90910898

IUPAC2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2cccc(N(c3ccncc3)c3ncccn3)c2)CC1
InChIInChI=1S/C22H25N7O/c1-27-12-14-28(15-13-27)17-21(30)26-18-4-2-5-20(16-18)29(19-6-10-23-11-7-19)22-24-8-3-9-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,30)
InChIKeyMIBONUUIUHVDHR-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 90910898) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID90910898
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2cccc(N(c3ccncc3)c3ncccn3)c2)CC1
InChIInChI=1S/C22H25N7O/c1-27-12-14-28(15-13-27)17-21(30)26-18-4-2-5-20(16-18)29(19-6-10-23-11-7-19)22-24-8-3-9-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,30)
InChIKeyMIBONUUIUHVDHR-UHFFFAOYSA-N
XLogP2.53
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90784917
2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91095968
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
2-morpholin-4-yl-N-[4-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91295105
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide (CID 90910898) is 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide is CN1CCN(CC(=O)Nc2cccc(N(c3ccncc3)c3ncccn3)c2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is MIBONUUIUHVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-27-12-14-28(15-13-27)17-21(30)26-18-4-2-5-20(16-18)29(19-6-10-23-11-7-19)22-24-8-3-9-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,30).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 90910898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).