N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

C23H23N3O4S — CID 55783973

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1OCC(N)=O
InChIInChI=1S/C23H23N3O4S/c1-14-6-8-17(11-15(14)2)31-23-18(5-4-10-25-23)22(28)26-16-7-9-19(29-3)20(12-16)30-13-21(24)27/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,28)
InChIKeyUZLSELCVLUBWCO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.97
Rot. Bonds8

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 55783973) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID55783973
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1OCC(N)=O
InChIInChI=1S/C23H23N3O4S/c1-14-6-8-17(11-15(14)2)31-23-18(5-4-10-25-23)22(28)26-16-7-9-19(29-3)20(12-16)30-13-21(24)27/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,28)
InChIKeyUZLSELCVLUBWCO-UHFFFAOYSA-N
XLogP3.97
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790621
methyl 2-[[3-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55750551
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 17391027
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 18153647
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3375303
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
2-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55602031
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 55783973) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is UZLSELCVLUBWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-14-6-8-17(11-15(14)2)31-23-18(5-4-10-25-23)22(28)26-16-7-9-19(29-3)20(12-16)30-13-21(24)27/h4-12H,13H2,1-3H3,(H2,24,27)(H,26,28).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55783973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).