N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide

C20H21N5O3S — CID 166918888

IUPACN-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C)nc(C)n2)cn1
InChIInChI=1S/C20H21N5O3S/c1-12-8-18(23-13(2)22-12)17-11-21-20(24-14(3)26)10-19(17)25-15-6-5-7-16(9-15)29(4,27)28/h5-11H,1-4H3,(H2,21,24,25,26)
InChIKeyAXIYDTAJFSEZED-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.26
Rot. Bonds5

About N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide

N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide (PubChem CID 166918888) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
PubChem CID166918888
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C)nc(C)n2)cn1
InChIInChI=1S/C20H21N5O3S/c1-12-8-18(23-13(2)22-12)17-11-21-20(24-14(3)26)10-19(17)25-15-6-5-7-16(9-15)29(4,27)28/h5-11H,1-4H3,(H2,21,24,25,26)
InChIKeyAXIYDTAJFSEZED-UHFFFAOYSA-N
XLogP3.26
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918898
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918333
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918948
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166919027
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329
N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918499
N-[4-[(3-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918696
N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
CID 170730841
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide (CID 166918888) is N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cccc(S(C)(=O)=O)c2)c(-c2cc(C)nc(C)n2)cn1.
What is the InChIKey of N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
The InChIKey is AXIYDTAJFSEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-12-8-18(23-13(2)22-12)17-11-21-20(24-14(3)26)10-19(17)25-15-6-5-7-16(9-15)29(4,27)28/h5-11H,1-4H3,(H2,21,24,25,26).
What are the key properties of N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide?
N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).