N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C22H24N6O — CID 126474089

IUPACN-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2cc(-c3ccncc3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C22H24N6O/c1-26(19-5-3-2-4-6-19)22(29)16-27-11-13-28(14-12-27)21-15-20(24-17-25-21)18-7-9-23-10-8-18/h2-10,15,17H,11-14,16H2,1H3
InChIKeyAGFIHVNQIYNJKH-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 126474089) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID126474089
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2cc(-c3ccncc3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C22H24N6O/c1-26(19-5-3-2-4-6-19)22(29)16-27-11-13-28(14-12-27)21-15-20(24-17-25-21)18-7-9-23-10-8-18/h2-10,15,17H,11-14,16H2,1H3
InChIKeyAGFIHVNQIYNJKH-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 46094632
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90519567
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109345911
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
3-chloro-2,2-dimethyl-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759625
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 121106819

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 126474089) is N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(c2cc(-c3ccncc3)ncn2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is AGFIHVNQIYNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26(19-5-3-2-4-6-19)22(29)16-27-11-13-28(14-12-27)21-15-20(24-17-25-21)18-7-9-23-10-8-18/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[4-(6-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 126474089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).