N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

C23H22N6O5S — CID 166918746

IUPACN-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1
InChIInChI=1S/C23H22N6O5S/c1-13(30)26-19-9-17(27-20-7-14(10-24)8-21(29-20)35(4,31)32)15(11-25-19)16-5-6-18-22(28-16)33-12-23(2,3)34-18/h5-9,11H,12H2,1-4H3,(H2,25,26,27,29,30)
InChIKeyDGFIFGAUQPSBEH-UHFFFAOYSA-N
MW494.53 g/mol
LogP3.07
Rot. Bonds5

About N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide

N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (PubChem CID 166918746) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
PubChem CID166918746
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1
InChIInChI=1S/C23H22N6O5S/c1-13(30)26-19-9-17(27-20-7-14(10-24)8-21(29-20)35(4,31)32)15(11-25-19)16-5-6-18-22(28-16)33-12-23(2,3)34-18/h5-9,11H,12H2,1-4H3,(H2,25,26,27,29,30)
InChIKeyDGFIFGAUQPSBEH-UHFFFAOYSA-N
XLogP3.07
TPSA156.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide (CID 166918746) is N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C#N)cc(S(C)(=O)=O)n2)c(-c2ccc3c(n2)OCC(C)(C)O3)cn1.
What is the InChIKey of N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is DGFIFGAUQPSBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-13(30)26-19-9-17(27-20-7-14(10-24)8-21(29-20)35(4,31)32)15(11-25-19)16-5-6-18-22(28-16)33-12-23(2,3)34-18/h5-9,11H,12H2,1-4H3,(H2,25,26,27,29,30).
What are the key properties of N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide?
N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 494.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).