N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

C22H23N5O6S — CID 166919046

IUPACN-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2cc3c(cn2)OCCO3)nc(S(C)(=O)=O)c1
InChIInChI=1S/C22H23N5O6S/c1-4-31-14-7-21(27-22(8-14)34(3,29)30)26-17-10-20(25-13(2)28)24-11-15(17)16-9-18-19(12-23-16)33-6-5-32-18/h7-12H,4-6H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyPAMWOKUFXATUFV-UHFFFAOYSA-N
MW485.52 g/mol
LogP2.81
Rot. Bonds7

About N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 166919046) has the molecular formula C22H23N5O6S and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID166919046
Molecular FormulaC22H23N5O6S
Molecular Weight485.52 g/mol
Exact Mass485.14
IUPAC NameN-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2cc3c(cn2)OCCO3)nc(S(C)(=O)=O)c1
InChIInChI=1S/C22H23N5O6S/c1-4-31-14-7-21(27-22(8-14)34(3,29)30)26-17-10-20(25-13(2)28)24-11-15(17)16-9-18-19(12-23-16)33-6-5-32-18/h7-12H,4-6H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyPAMWOKUFXATUFV-UHFFFAOYSA-N
XLogP2.81
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (CID 166919046) is N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is CCOc1cc(Nc2cc(NC(C)=O)ncc2-c2cc3c(cn2)OCCO3)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is PAMWOKUFXATUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O6S/c1-4-31-14-7-21(27-22(8-14)34(3,29)30)26-17-10-20(25-13(2)28)24-11-15(17)16-9-18-19(12-23-16)33-6-5-32-18/h7-12H,4-6H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 485.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166919046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).