1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide

C20H26N4O2 — CID 46964107

IUPAC1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2ccc(=O)n(C)c2)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-22-10-12-24(13-11-22)18(16-6-4-3-5-7-16)14-21-20(26)17-8-9-19(25)23(2)15-17/h3-9,15,18H,10-14H2,1-2H3,(H,21,26)
InChIKeyKRZYOILKYSXXEP-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.10
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide

1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide (PubChem CID 46964107) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
PubChem CID46964107
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2ccc(=O)n(C)c2)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-22-10-12-24(13-11-22)18(16-6-4-3-5-7-16)14-21-20(26)17-8-9-19(25)23(2)15-17/h3-9,15,18H,10-14H2,1-2H3,(H,21,26)
InChIKeyKRZYOILKYSXXEP-UHFFFAOYSA-N
XLogP1.10
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
N-(2-morpholin-4-yl-2-phenylethyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954887
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112504483
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622327
3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990763
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621461
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622293
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide (CID 46964107) is 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide is CN1CCN(C(CNC(=O)c2ccc(=O)n(C)c2)c2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is KRZYOILKYSXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-10-12-24(13-11-22)18(16-6-4-3-5-7-16)14-21-20(26)17-8-9-19(25)23(2)15-17/h3-9,15,18H,10-14H2,1-2H3,(H,21,26).
What are the key properties of 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 46964107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).