1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C25H28N4O2 — CID 56517580

IUPAC1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cccn(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C25H28N4O2/c1-27-14-16-28(17-15-27)23-12-6-5-10-21(23)18-26-24(30)22-11-7-13-29(25(22)31)19-20-8-3-2-4-9-20/h2-13H,14-19H2,1H3,(H,26,30)
InChIKeyRAOIAFMJLUSCOM-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.58
Rot. Bonds6

About 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 56517580) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID56517580
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cccn(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C25H28N4O2/c1-27-14-16-28(17-15-27)23-12-6-5-10-21(23)18-26-24(30)22-11-7-13-29(25(22)31)19-20-8-3-2-4-9-20/h2-13H,14-19H2,1H3,(H,26,30)
InChIKeyRAOIAFMJLUSCOM-UHFFFAOYSA-N
XLogP2.58
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
1-benzyl-3,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56523307
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 56517242
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 56518374
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 56517105
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56523344

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 56517580) is 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2cccn(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is RAOIAFMJLUSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-27-14-16-28(17-15-27)23-12-6-5-10-21(23)18-26-24(30)22-11-7-13-29(25(22)31)19-20-8-3-2-4-9-20/h2-13H,14-19H2,1H3,(H,26,30).
What are the key properties of 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56517580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).