2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide

C21H28N4O — CID 56702955

IUPAC2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H28N4O/c1-15-12-16(2)19(17(3)13-15)21(26)23-14-18-6-5-7-22-20(18)25-10-8-24(4)9-11-25/h5-7,12-13H,8-11,14H2,1-4H3,(H,23,26)
InChIKeyYJXVAKVLJSVPDK-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.69
Rot. Bonds4

About 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 56702955) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID56702955
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H28N4O/c1-15-12-16(2)19(17(3)13-15)21(26)23-14-18-6-5-7-22-20(18)25-10-8-24(4)9-11-25/h5-7,12-13H,8-11,14H2,1-4H3,(H,23,26)
InChIKeyYJXVAKVLJSVPDK-UHFFFAOYSA-N
XLogP2.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 56744102
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 56755377
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (CID 56702955) is 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is Cc1cc(C)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is YJXVAKVLJSVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-12-16(2)19(17(3)13-15)21(26)23-14-18-6-5-7-22-20(18)25-10-8-24(4)9-11-25/h5-7,12-13H,8-11,14H2,1-4H3,(H,23,26).
What are the key properties of 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 56702955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).