N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C21H30ClN3O3S — CID 172913238

IUPACN-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccsc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl
InChIInChI=1S/C21H29N3O3S.ClH/c1-16-5-8-23(13-17-4-3-7-22-12-17)20(25)19(16)21(26)24(9-10-27-2)14-18-6-11-28-15-18;/h5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2,1-2H3;1H
InChIKeyVCWBYQGUKHZKPC-UHFFFAOYSA-N
MW440.01 g/mol
LogP2.93
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172913238) has the molecular formula C21H30ClN3O3S and a molecular weight of 440.01 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID172913238
Molecular FormulaC21H30ClN3O3S
Molecular Weight440.01 g/mol
Exact Mass439.17
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccsc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl
InChIInChI=1S/C21H29N3O3S.ClH/c1-16-5-8-23(13-17-4-3-7-22-12-17)20(25)19(16)21(26)24(9-10-27-2)14-18-6-11-28-15-18;/h5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2,1-2H3;1H
InChIKeyVCWBYQGUKHZKPC-UHFFFAOYSA-N
XLogP2.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.01
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911512
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 172913238) is N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is COCCN(Cc1ccsc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is VCWBYQGUKHZKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S.ClH/c1-16-5-8-23(13-17-4-3-7-22-12-17)20(25)19(16)21(26)24(9-10-27-2)14-18-6-11-28-15-18;/h5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2,1-2H3;1H.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 440.01 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172913238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).