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

C25H28N6O4S — CID 58447656

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1
InChIInChI=1S/C25H28N6O4S/c1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)
InChIKeyURBPAYANYDWWEJ-UHFFFAOYSA-N
MW508.60 g/mol
LogP2.10
Rot. Bonds6

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

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide (PubChem CID 58447656) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide
PubChem CID58447656
Molecular FormulaC25H28N6O4S
Molecular Weight508.60 g/mol
Exact Mass508.19
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1
InChIInChI=1S/C25H28N6O4S/c1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)
InChIKeyURBPAYANYDWWEJ-UHFFFAOYSA-N
XLogP2.10
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Wnt-974
CID 46926973
Gnf6231
CID 46927297
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
US10251893, Cpd 166
CID 58447954
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
2-(4,6-Dicyclopropylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-propan-2-ylpteridin-7-one
CID 118440343
2-(4-Cyclopropyl-6-ethylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-propan-2-ylpteridin-7-one
CID 118440352
US10981893, Example 28
CID 124173408
US10251893, Cpd 189
CID 46927295

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide (CID 58447656) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide?
The InChIKey is URBPAYANYDWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)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-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide has a molecular weight of 508.60 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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)-5-methylsulfonyl-3-pyridinyl]acetamide is sourced from PubChem (CID 58447656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).