N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C25H28N6O2 — CID 46927217

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)
InChIKeyNEQNTAAQXJOQOM-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.01
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927217) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927217
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)
InChIKeyNEQNTAAQXJOQOM-UHFFFAOYSA-N
XLogP3.01
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927217) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is NEQNTAAQXJOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).