N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide

C17H21N5O — CID 110258484

IUPACN-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
SMILESCNC(=O)c1cccc(C2CN(c3ncccn3)CCN2C)c1
InChIInChI=1S/C17H21N5O/c1-18-16(23)14-6-3-5-13(11-14)15-12-22(10-9-21(15)2)17-19-7-4-8-20-17/h3-8,11,15H,9-10,12H2,1-2H3,(H,18,23)
InChIKeyKYERCKLSXGAYHK-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide

N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide (PubChem CID 110258484) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
PubChem CID110258484
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
SMILESCNC(=O)c1cccc(C2CN(c3ncccn3)CCN2C)c1
InChIInChI=1S/C17H21N5O/c1-18-16(23)14-6-3-5-13(11-14)15-12-22(10-9-21(15)2)17-19-7-4-8-20-17/h3-8,11,15H,9-10,12H2,1-2H3,(H,18,23)
InChIKeyKYERCKLSXGAYHK-UHFFFAOYSA-N
XLogP1.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
CID 124984397
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide
CID 110151321
3-[4-[2-(3-methoxyanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110150714
N-methyl-3-[[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111207193
N-methyl-3-[1-methyl-4-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-2-yl]benzamide
CID 110151359

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide?
The IUPAC name of N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide (CID 110258484) is N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide.
What is the SMILES notation for N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide?
The canonical SMILES for N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide is CNC(=O)c1cccc(C2CN(c3ncccn3)CCN2C)c1.
What is the InChIKey of N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide?
The InChIKey is KYERCKLSXGAYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-18-16(23)14-6-3-5-13(11-14)15-12-22(10-9-21(15)2)17-19-7-4-8-20-17/h3-8,11,15H,9-10,12H2,1-2H3,(H,18,23).
What are the key properties of N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide?
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide is sourced from PubChem (CID 110258484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).