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

C19H18N6O3S — CID 166918333

IUPACN-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C19H18N6O3S/c1-12(26)22-19-9-18(16(11-21-19)17-4-5-25(2)24-17)23-14-6-13(10-20)7-15(8-14)29(3,27)28/h4-9,11H,1-3H3,(H2,21,22,23,26)
InChIKeyRCOQEHCRVBZJMU-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.46
Rot. Bonds5

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

N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918333) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918333
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC NameN-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C19H18N6O3S/c1-12(26)22-19-9-18(16(11-21-19)17-4-5-25(2)24-17)23-14-6-13(10-20)7-15(8-14)29(3,27)28/h4-9,11H,1-3H3,(H2,21,22,23,26)
InChIKeyRCOQEHCRVBZJMU-UHFFFAOYSA-N
XLogP2.46
TPSA129.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918333) is N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1.
What is the InChIKey of N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is RCOQEHCRVBZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-12(26)22-19-9-18(16(11-21-19)17-4-5-25(2)24-17)23-14-6-13(10-20)7-15(8-14)29(3,27)28/h4-9,11H,1-3H3,(H2,21,22,23,26).
What are the key properties of N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 410.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).