N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide

C21H27N3O2S — CID 86954874

IUPACN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
SMILESCOc1ccc(C2C(CNC(=O)c3ccnc(SC)c3)CCCN2C)cc1
InChIInChI=1S/C21H27N3O2S/c1-24-12-4-5-17(20(24)15-6-8-18(26-2)9-7-15)14-23-21(25)16-10-11-22-19(13-16)27-3/h6-11,13,17,20H,4-5,12,14H2,1-3H3,(H,23,25)
InChIKeyDGXJZNHLZSSYKI-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.62
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 86954874) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
PubChem CID86954874
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
SMILESCOc1ccc(C2C(CNC(=O)c3ccnc(SC)c3)CCCN2C)cc1
InChIInChI=1S/C21H27N3O2S/c1-24-12-4-5-17(20(24)15-6-8-18(26-2)9-7-15)14-23-21(25)16-10-11-22-19(13-16)27-3/h6-11,13,17,20H,4-5,12,14H2,1-3H3,(H,23,25)
InChIKeyDGXJZNHLZSSYKI-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86955022
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methyl-3-nitrobenzamide
CID 86955076
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 86954919
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86955067
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide (CID 86954874) is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide is COc1ccc(C2C(CNC(=O)c3ccnc(SC)c3)CCCN2C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is DGXJZNHLZSSYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-24-12-4-5-17(20(24)15-6-8-18(26-2)9-7-15)14-23-21(25)16-10-11-22-19(13-16)27-3/h6-11,13,17,20H,4-5,12,14H2,1-3H3,(H,23,25).
What are the key properties of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide?
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 86954874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).