2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide

C20H25N3O3S — CID 4622676

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H25N3O3S/c1-3-4-7-12-21-19(25)15-9-8-13-22-20(15)27-14-18(24)23-16-10-5-6-11-17(16)26-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyZRGFGZXGLWEWRE-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.74
Rot. Bonds10

About 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide (PubChem CID 4622676) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide
PubChem CID4622676
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H25N3O3S/c1-3-4-7-12-21-19(25)15-9-8-13-22-20(15)27-14-18(24)23-16-10-5-6-11-17(16)26-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyZRGFGZXGLWEWRE-UHFFFAOYSA-N
XLogP3.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10524875
N-(2-methoxyphenyl)-4,6-dimethyl-2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxamide
CID 16014836
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
2-(4-chlorophenyl)sulfanyl-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586103
2-(4-chlorophenyl)sulfanyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586104
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide (CID 4622676) is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide?
The InChIKey is ZRGFGZXGLWEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-4-7-12-21-19(25)15-9-8-13-22-20(15)27-14-18(24)23-16-10-5-6-11-17(16)26-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 4622676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).