N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide

C23H26N4O5S — CID 166918948

IUPACN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C23H26N4O5S/c1-14(28)26-22-11-21(27-16-8-17(32-4)10-18(9-16)33(5,30)31)19(13-25-22)20-7-6-15(12-24-20)23(2,3)29/h6-13,29H,1-5H3,(H2,25,26,27,28)
InChIKeyAHOZSTCYNZBZFF-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.49
Rot. Bonds7

About N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide

N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide (PubChem CID 166918948) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
PubChem CID166918948
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C23H26N4O5S/c1-14(28)26-22-11-21(27-16-8-17(32-4)10-18(9-16)33(5,30)31)19(13-25-22)20-7-6-15(12-24-20)23(2,3)29/h6-13,29H,1-5H3,(H2,25,26,27,28)
InChIKeyAHOZSTCYNZBZFF-UHFFFAOYSA-N
XLogP3.49
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166919027
N-[4-[3-(3-hydroxycyclobutyl)oxy-5-methylsulfonylanilino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918912
N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918898
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918764
N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918469
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918888
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918333

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide (CID 166918948) is N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide is COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccc(C(C)(C)O)cn2)cc(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide?
The InChIKey is AHOZSTCYNZBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-14(28)26-22-11-21(27-16-8-17(32-4)10-18(9-16)33(5,30)31)19(13-25-22)20-7-6-15(12-24-20)23(2,3)29/h6-13,29H,1-5H3,(H2,25,26,27,28).
What are the key properties of N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide?
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).