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

C25H26N4O2 — CID 31008067

IUPAC2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C25H26N4O2/c1-28-13-15-29(16-14-28)23-12-11-19(17-26-23)18-27-25(31)22-10-6-5-9-21(22)24(30)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,27,31)
InChIKeyCACQMYHEOSZBKG-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.99
Rot. Bonds6

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

2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 31008067) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID31008067
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccccc3)cn2)CC1
InChIInChI=1S/C25H26N4O2/c1-28-13-15-29(16-14-28)23-12-11-19(17-26-23)18-27-25(31)22-10-6-5-9-21(22)24(30)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,27,31)
InChIKeyCACQMYHEOSZBKG-UHFFFAOYSA-N
XLogP2.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
CID 30659242
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
1-benzyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110954761
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide (CID 31008067) is 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is CN1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccccc3)cn2)CC1.
What is the InChIKey of 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is CACQMYHEOSZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-13-15-29(16-14-28)23-12-11-19(17-26-23)18-27-25(31)22-10-6-5-9-21(22)24(30)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,27,31).
What are the key properties of 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 31008067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).