N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

C20H25N3O3S — CID 2997636

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2SC)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-25-16-7-5-15(6-8-16)18(23-10-12-26-13-11-23)14-22-19(24)17-4-3-9-21-20(17)27-2/h3-9,18H,10-14H2,1-2H3,(H,22,24)
InChIKeyBAZGLWUBBBAFBE-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2997636) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2997636
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2SC)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-25-16-7-5-15(6-8-16)18(23-10-12-26-13-11-23)14-22-19(24)17-4-3-9-21-20(17)27-2/h3-9,18H,10-14H2,1-2H3,(H,22,24)
InChIKeyBAZGLWUBBBAFBE-UHFFFAOYSA-N
XLogP2.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide
CID 44586089
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide
CID 44586090
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586100
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 44586109
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 44586110
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(2-methylphenyl)sulfanylpyridine-3-carboxamide
CID 44586121
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methylphenyl)sulfanylpyridine-3-carboxamide
CID 44586122
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenyl)sulfanylpyridine-3-carboxamide
CID 44586125
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(2-methoxyphenyl)sulfanylpyridine-3-carboxamide
CID 44586126
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)sulfanylpyridine-3-carboxamide
CID 44586130
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586148
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586149

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2997636) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is COc1ccc(C(CNC(=O)c2cccnc2SC)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is BAZGLWUBBBAFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-25-16-7-5-15(6-8-16)18(23-10-12-26-13-11-23)14-22-19(24)17-4-3-9-21-20(17)27-2/h3-9,18H,10-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2997636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).