N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide

C21H25N5O4S — CID 166919027

IUPACN-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C(C)C)n2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C21H25N5O4S/c1-13(2)26-7-6-19(25-26)18-12-22-21(23-14(3)27)11-20(18)24-15-8-16(30-4)10-17(9-15)31(5,28)29/h6-13H,1-5H3,(H2,22,23,24,27)
InChIKeyFRSXNPBULDHJLQ-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.64
Rot. Bonds7

About N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166919027) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166919027
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C(C)C)n2)cc(S(C)(=O)=O)c1
InChIInChI=1S/C21H25N5O4S/c1-13(2)26-7-6-19(25-26)18-12-22-21(23-14(3)27)11-20(18)24-15-8-16(30-4)10-17(9-15)31(5,28)29/h6-13H,1-5H3,(H2,22,23,24,27)
InChIKeyFRSXNPBULDHJLQ-UHFFFAOYSA-N
XLogP3.64
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-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-[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-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918888
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 167439722
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918898

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166919027) is N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide is COc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C(C)C)n2)cc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is FRSXNPBULDHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-13(2)26-7-6-19(25-26)18-12-22-21(23-14(3)27)11-20(18)24-15-8-16(30-4)10-17(9-15)31(5,28)29/h6-13H,1-5H3,(H2,22,23,24,27).
What are the key properties of N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxy-5-methylsulfonylanilino)-5-(1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166919027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).