4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide

C21H27N5O2 — CID 56756917

IUPAC4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1C
InChIInChI=1S/C21H27N5O2/c1-15-13-17(6-7-19(15)24-16(2)27)21(28)23-14-18-5-4-8-22-20(18)26-11-9-25(3)10-12-26/h4-8,13H,9-12,14H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyWGMHEEILAVSOJU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.03
Rot. Bonds5

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

4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 56756917) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID56756917
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1C
InChIInChI=1S/C21H27N5O2/c1-15-13-17(6-7-19(15)24-16(2)27)21(28)23-14-18-5-4-8-22-20(18)26-11-9-25(3)10-12-26/h4-8,13H,9-12,14H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyWGMHEEILAVSOJU-UHFFFAOYSA-N
XLogP2.03
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
(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
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
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
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 56755377
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (CID 56756917) is 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1C.
What is the InChIKey of 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is WGMHEEILAVSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-13-17(6-7-19(15)24-16(2)27)21(28)23-14-18-5-4-8-22-20(18)26-11-9-25(3)10-12-26/h4-8,13H,9-12,14H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 56756917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).