3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide

C20H25N5O2 — CID 71706871

IUPAC3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cc3cccc(C(N)=O)c3)nc2)CC1
InChIInChI=1S/C20H25N5O2/c1-24-7-9-25(10-8-24)14-19(26)23-18-6-5-17(22-13-18)12-15-3-2-4-16(11-15)20(21)27/h2-6,11,13H,7-10,12,14H2,1H3,(H2,21,27)(H,23,26)
InChIKeyDYJBSYMIQOAHQP-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.96
Rot. Bonds6

About 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide

3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide (PubChem CID 71706871) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide
PubChem CID71706871
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide
SMILESCN1CCN(CC(=O)Nc2ccc(Cc3cccc(C(N)=O)c3)nc2)CC1
InChIInChI=1S/C20H25N5O2/c1-24-7-9-25(10-8-24)14-19(26)23-18-6-5-17(22-13-18)12-15-3-2-4-16(11-15)20(21)27/h2-6,11,13H,7-10,12,14H2,1H3,(H2,21,27)(H,23,26)
InChIKeyDYJBSYMIQOAHQP-UHFFFAOYSA-N
XLogP0.96
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide
CID 69065124
2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90910898
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 167965653
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfinylmethyl)benzamide
CID 18153700

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide?
The IUPAC name of 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide (CID 71706871) is 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide is CN1CCN(CC(=O)Nc2ccc(Cc3cccc(C(N)=O)c3)nc2)CC1.
What is the InChIKey of 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide?
The InChIKey is DYJBSYMIQOAHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24-7-9-25(10-8-24)14-19(26)23-18-6-5-17(22-13-18)12-15-3-2-4-16(11-15)20(21)27/h2-6,11,13H,7-10,12,14H2,1H3,(H2,21,27)(H,23,26).
What are the key properties of 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide?
3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 71706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).