N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C20H23N5O5S — CID 166918661

IUPACN-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OCCO)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H23N5O5S/c1-13(27)22-20-11-19(17(12-21-20)18-4-5-25(2)24-18)23-14-8-15(30-7-6-26)10-16(9-14)31(3,28)29/h4-5,8-12,26H,6-7H2,1-3H3,(H2,21,22,23,27)
InChIKeyWQFYUNIPSIGGAN-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.96
Rot. Bonds8

About N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918661) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918661
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OCCO)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H23N5O5S/c1-13(27)22-20-11-19(17(12-21-20)18-4-5-25(2)24-18)23-14-8-15(30-7-6-26)10-16(9-14)31(3,28)29/h4-5,8-12,26H,6-7H2,1-3H3,(H2,21,22,23,27)
InChIKeyWQFYUNIPSIGGAN-UHFFFAOYSA-N
XLogP1.96
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918661) is N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(OCCO)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1.
What is the InChIKey of N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is WQFYUNIPSIGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-13(27)22-20-11-19(17(12-21-20)18-4-5-25(2)24-18)23-14-8-15(30-7-6-26)10-16(9-14)31(3,28)29/h4-5,8-12,26H,6-7H2,1-3H3,(H2,21,22,23,27).
What are the key properties of N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).