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

C24H26N6O2 — CID 58447693

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1
InChIInChI=1S/C24H26N6O2/c1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32)
InChIKeyAWSMEONLTOKKLB-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.70
Rot. Bonds5

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447693) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447693
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1
InChIInChI=1S/C24H26N6O2/c1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32)
InChIKeyAWSMEONLTOKKLB-UHFFFAOYSA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.70
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-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447693) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is AWSMEONLTOKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.70, 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-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).