N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide

C20H25N3O2S — CID 55713870

IUPACN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-13-23(9-10-25-15)19-8-5-17(11-21-19)12-22-20(24)18-6-3-16(4-7-18)14-26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,22,24)
InChIKeyOMOAMCGGXKSHLK-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.10
Rot. Bonds6

About N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 55713870) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID55713870
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-13-23(9-10-25-15)19-8-5-17(11-21-19)12-22-20(24)18-6-3-16(4-7-18)14-26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,22,24)
InChIKeyOMOAMCGGXKSHLK-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55725322
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111873687
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55779817
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide (CID 55713870) is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cc1.
What is the InChIKey of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is OMOAMCGGXKSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-13-23(9-10-25-15)19-8-5-17(11-21-19)12-22-20(24)18-6-3-16(4-7-18)14-26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide?
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 371.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 55713870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).