5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide

C26H28N4O5 — CID 11670116

IUPAC5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C26H28N4O5/c1-29-8-10-30(11-9-29)12-13-33-21-5-3-20(4-6-21)28-26(32)22-14-19(16-27-25(22)31)18-2-7-23-24(15-18)35-17-34-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)
InChIKeyYWRUGVXLULUVJZ-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.65
Rot. Bonds7

About 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 11670116) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID11670116
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C26H28N4O5/c1-29-8-10-30(11-9-29)12-13-33-21-5-3-20(4-6-21)28-26(32)22-14-19(16-27-25(22)31)18-2-7-23-24(15-18)35-17-34-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)
InChIKeyYWRUGVXLULUVJZ-UHFFFAOYSA-N
XLogP2.65
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 11605000
5-(1,3-benzodioxol-5-yl)-N-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 11555571
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
1,3-benzodioxol-5-yl-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638157
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110288155
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155955431
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17457550
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 11670116) is 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide is CN1CCN(CCOc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)c[nH]c3=O)cc2)CC1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YWRUGVXLULUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-29-8-10-30(11-9-29)12-13-33-21-5-3-20(4-6-21)28-26(32)22-14-19(16-27-25(22)31)18-2-7-23-24(15-18)35-17-34-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11670116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).