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

C25H25N7O2 — CID 58447743

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1
InChIInChI=1S/C25H25N7O2/c1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33/h3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34)
InChIKeyQTCBPVQIDFRGAV-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.57
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447743) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447743
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1
InChIInChI=1S/C25H25N7O2/c1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33/h3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34)
InChIKeyQTCBPVQIDFRGAV-UHFFFAOYSA-N
XLogP2.57
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447743) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is QTCBPVQIDFRGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33/h3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).