2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

C23H26N6O3 — CID 16625861

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cn2)CC1
InChIInChI=1S/C23H26N6O3/c1-26-11-13-27(14-12-26)20-8-7-19(15-24-20)25-21(30)17-29-22(31)9-10-28(23(29)32)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)
InChIKeyZOTYWCRZOLTZPD-UHFFFAOYSA-N
MW434.50 g/mol
LogP0.84
Rot. Bonds6

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 16625861) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID16625861
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cn2)CC1
InChIInChI=1S/C23H26N6O3/c1-26-11-13-27(14-12-26)20-8-7-19(15-24-20)25-21(30)17-29-22(31)9-10-28(23(29)32)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)
InChIKeyZOTYWCRZOLTZPD-UHFFFAOYSA-N
XLogP0.84
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
2-(4-oxoquinolin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 51126832
1-benzyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 9269366
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
(E)-N-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55585362
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 112845975
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 16625861) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is CN1CCN(c2ccc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cn2)CC1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is ZOTYWCRZOLTZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-26-11-13-27(14-12-26)20-8-7-19(15-24-20)25-21(30)17-29-22(31)9-10-28(23(29)32)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3,(H,25,30).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 16625861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).