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

C23H31N3O2S — CID 172667682

IUPACN-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O
InChIInChI=1S/C23H31N3O2S/c1-4-25(15-18-7-9-20(29-3)10-8-18)22(27)21-17(2)11-13-26(23(21)28)16-19-6-5-12-24-14-19/h7-11,13,19,24H,4-6,12,14-16H2,1-3H3
InChIKeyOBRDHXRVFFCIJP-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.54
Rot. Bonds7

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

N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172667682) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172667682
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O
InChIInChI=1S/C23H31N3O2S/c1-4-25(15-18-7-9-20(29-3)10-8-18)22(27)21-17(2)11-13-26(23(21)28)16-19-6-5-12-24-14-19/h7-11,13,19,24H,4-6,12,14-16H2,1-3H3
InChIKeyOBRDHXRVFFCIJP-UHFFFAOYSA-N
XLogP3.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 172671706
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911512
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172913238
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658647
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
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
N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172663149
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172667682) is N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is CCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.
What is the InChIKey of N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OBRDHXRVFFCIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-4-25(15-18-7-9-20(29-3)10-8-18)22(27)21-17(2)11-13-26(23(21)28)16-19-6-5-12-24-14-19/h7-11,13,19,24H,4-6,12,14-16H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172667682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).