5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide

C25H26N4O4 — CID 73013950

IUPAC5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc(-c4ccc5c(c4)OCO5)cc(C(N)=O)c3=O)cc2)CC1
InChIInChI=1S/C25H26N4O4/c1-27-8-10-28(11-9-27)14-17-2-5-20(6-3-17)29-15-19(12-21(24(26)30)25(29)31)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-13,15H,8-11,14,16H2,1H3,(H2,26,30)
InChIKeyVECOOWVIRLNADK-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.08
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 73013950) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID73013950
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc(-c4ccc5c(c4)OCO5)cc(C(N)=O)c3=O)cc2)CC1
InChIInChI=1S/C25H26N4O4/c1-27-8-10-28(11-9-27)14-17-2-5-20(6-3-17)29-15-19(12-21(24(26)30)25(29)31)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-13,15H,8-11,14,16H2,1H3,(H2,26,30)
InChIKeyVECOOWVIRLNADK-UHFFFAOYSA-N
XLogP2.08
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzamide
CID 142718219
5-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 11605000
1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
CID 170864258
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetate
CID 791345
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2571773
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86974814
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 17221250
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988489
2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 42695320
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110768964
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide (CID 73013950) is 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide is CN1CCN(Cc2ccc(-n3cc(-c4ccc5c(c4)OCO5)cc(C(N)=O)c3=O)cc2)CC1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VECOOWVIRLNADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-27-8-10-28(11-9-27)14-17-2-5-20(6-3-17)29-15-19(12-21(24(26)30)25(29)31)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-13,15H,8-11,14,16H2,1H3,(H2,26,30).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 73013950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).