N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C22H30ClN3O3 — CID 172912715

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cc1.Cl
InChIInChI=1S/C22H29N3O3.ClH/c1-16-10-13-25(15-18-4-3-11-23-14-18)22(27)20(16)21(26)24-12-9-17-5-7-19(28-2)8-6-17;/h5-8,10,13,18,23H,3-4,9,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyGCCMREURXOZYOA-UHFFFAOYSA-N
MW419.95 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172912715) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID172912715
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cc1.Cl
InChIInChI=1S/C22H29N3O3.ClH/c1-16-10-13-25(15-18-4-3-11-23-14-18)22(27)20(16)21(26)24-12-9-17-5-7-19(28-2)8-6-17;/h5-8,10,13,18,23H,3-4,9,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyGCCMREURXOZYOA-UHFFFAOYSA-N
XLogP2.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913023
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172910581
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585
4-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172673386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 172912715) is N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is COc1ccc(CCNC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is GCCMREURXOZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.ClH/c1-16-10-13-25(15-18-4-3-11-23-14-18)22(27)20(16)21(26)24-12-9-17-5-7-19(28-2)8-6-17;/h5-8,10,13,18,23H,3-4,9,11-12,14-15H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 419.95 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172912715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).