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

C22H24N4O4S — CID 166918898

IUPACN-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C(C)(C)O)ccn2)cn1
InChIInChI=1S/C22H24N4O4S/c1-14(27)25-21-12-20(26-16-6-5-7-17(11-16)31(4,29)30)18(13-24-21)19-10-15(8-9-23-19)22(2,3)28/h5-13,28H,1-4H3,(H2,24,25,26,27)
InChIKeyCXGFYRJRNMSIAR-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.48
Rot. Bonds6

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

N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide (PubChem CID 166918898) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
PubChem CID166918898
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C(C)(C)O)ccn2)cn1
InChIInChI=1S/C22H24N4O4S/c1-14(27)25-21-12-20(26-16-6-5-7-17(11-16)31(4,29)30)18(13-24-21)19-10-15(8-9-23-19)22(2,3)28/h5-13,28H,1-4H3,(H2,24,25,26,27)
InChIKeyCXGFYRJRNMSIAR-UHFFFAOYSA-N
XLogP3.48
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918888
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918948
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
CID 170730841
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166919027
N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918333
[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
N-[4-[3-(3-hydroxycyclobutyl)oxy-5-methylsulfonylanilino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918912
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-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide (CID 166918898) is N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C(C)(C)O)ccn2)cn1.
What is the InChIKey of N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The InChIKey is CXGFYRJRNMSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14(27)25-21-12-20(26-16-6-5-7-17(11-16)31(4,29)30)18(13-24-21)19-10-15(8-9-23-19)22(2,3)28/h5-13,28H,1-4H3,(H2,24,25,26,27).
What are the key properties of N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).