N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C20H26N4O2 — CID 110622327

IUPACN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-5-16(6-4-15)18(24-11-9-23(2)10-12-24)14-22-20(26)17-7-8-19(25)21-13-17/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWPSWSONFPGSCHW-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110622327) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110622327
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-5-16(6-4-15)18(24-11-9-23(2)10-12-24)14-22-20(26)17-7-8-19(25)21-13-17/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWPSWSONFPGSCHW-UHFFFAOYSA-N
XLogP1.40
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622293
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621762
3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 7384661
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 7384743
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
methyl 4-[[2-[[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetyl]amino]benzoate
CID 16813627

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110622327) is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WPSWSONFPGSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-3-5-16(6-4-15)18(24-11-9-23(2)10-12-24)14-22-20(26)17-7-8-19(25)21-13-17/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110622327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).