N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C19H22N6O4S — CID 166918982

IUPACN-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C19H22N6O4S/c1-5-29-13-8-18(23-19(9-13)30(4,27)28)22-16-10-17(21-12(2)26)20-11-14(16)15-6-7-25(3)24-15/h6-11H,5H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyXMGBYIAEJYBDJX-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.38
Rot. Bonds7

About N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918982) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918982
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC NameN-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1
InChIInChI=1S/C19H22N6O4S/c1-5-29-13-8-18(23-19(9-13)30(4,27)28)22-16-10-17(21-12(2)26)20-11-14(16)15-6-7-25(3)24-15/h6-11H,5H2,1-4H3,(H2,20,21,22,23,26)
InChIKeyXMGBYIAEJYBDJX-UHFFFAOYSA-N
XLogP2.38
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918982) is N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccn(C)n2)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is XMGBYIAEJYBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-5-29-13-8-18(23-19(9-13)30(4,27)28)22-16-10-17(21-12(2)26)20-11-14(16)15-6-7-25(3)24-15/h6-11H,5H2,1-4H3,(H2,20,21,22,23,26).
What are the key properties of N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).