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

C20H26N4O3 — CID 110622293

IUPACN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-23-9-11-24(12-10-23)18(15-3-6-17(27-2)7-4-15)14-22-20(26)16-5-8-19(25)21-13-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUCNXEORNPRTXLE-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.10
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110622293) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110622293
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-23-9-11-24(12-10-23)18(15-3-6-17(27-2)7-4-15)14-22-20(26)16-5-8-19(25)21-13-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUCNXEORNPRTXLE-UHFFFAOYSA-N
XLogP1.10
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622327
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990737
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621762
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-(2-hydroxyethyl)-N'-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 43990661
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 24544227

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110622293) is N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(C(CNC(=O)c2ccc(=O)[nH]c2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UCNXEORNPRTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-9-11-24(12-10-23)18(15-3-6-17(27-2)7-4-15)14-22-20(26)16-5-8-19(25)21-13-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110622293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).