2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

C20H26N6O3 — CID 131903692

IUPAC2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1C(=O)N(C)C
InChIInChI=1S/C20H26N6O3/c1-24(2)19(28)16-13-15(5-6-17(16)29-3)23-18(27)14-25-9-11-26(12-10-25)20-21-7-4-8-22-20/h4-8,13H,9-12,14H2,1-3H3,(H,23,27)
InChIKeyRDHSKOWQRDZELS-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.95
Rot. Bonds6

About 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 131903692) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID131903692
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1C(=O)N(C)C
InChIInChI=1S/C20H26N6O3/c1-24(2)19(28)16-13-15(5-6-17(16)29-3)23-18(27)14-25-9-11-26(12-10-25)20-21-7-4-8-22-20/h4-8,13H,9-12,14H2,1-3H3,(H,23,27)
InChIKeyRDHSKOWQRDZELS-UHFFFAOYSA-N
XLogP0.95
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
N-(3,4-dimethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
CID 24628279
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (CID 131903692) is 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1C(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is RDHSKOWQRDZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-24(2)19(28)16-13-15(5-6-17(16)29-3)23-18(27)14-25-9-11-26(12-10-25)20-21-7-4-8-22-20/h4-8,13H,9-12,14H2,1-3H3,(H,23,27).
What are the key properties of 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 398.47 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 131903692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).