N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide

C23H21N7O — CID 122299402

IUPACN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc2nccnc2c1
InChIInChI=1S/C23H21N7O/c31-22(17-6-7-20-21(14-17)25-9-8-24-20)28-18-15-26-23(27-16-18)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,28,31)
InChIKeySIHIMXKATZFGMI-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide

N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide (PubChem CID 122299402) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
PubChem CID122299402
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc2nccnc2c1
InChIInChI=1S/C23H21N7O/c31-22(17-6-7-20-21(14-17)25-9-8-24-20)28-18-15-26-23(27-16-18)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,28,31)
InChIKeySIHIMXKATZFGMI-UHFFFAOYSA-N
XLogP3.00
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122299077
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide (CID 122299402) is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide is O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide?
The InChIKey is SIHIMXKATZFGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-22(17-6-7-20-21(14-17)25-9-8-24-20)28-18-15-26-23(27-16-18)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,28,31).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide?
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 122299402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).