4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide

C23H28N6O4S — CID 68946406

IUPAC4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc3)c2)c(C)n1
InChIInChI=1S/C23H28N6O4S/c1-16-5-10-21(17(2)27-16)33-20-11-12-24-22(15-20)28-19-8-6-18(7-9-19)23(30)25-13-14-26-34(31,32)29(3)4/h5-12,15,26H,13-14H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyZPLOGRMKXAOWAQ-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.76
Rot. Bonds10

About 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide

4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide (PubChem CID 68946406) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
PubChem CID68946406
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC Name4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc3)c2)c(C)n1
InChIInChI=1S/C23H28N6O4S/c1-16-5-10-21(17(2)27-16)33-20-11-12-24-22(15-20)28-19-8-6-18(7-9-19)23(30)25-13-14-26-34(31,32)29(3)4/h5-12,15,26H,13-14H2,1-4H3,(H,24,28)(H,25,30)
InChIKeyZPLOGRMKXAOWAQ-UHFFFAOYSA-N
XLogP2.76
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide?
The IUPAC name of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide (CID 68946406) is 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide?
The canonical SMILES for 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide is Cc1ccc(Oc2ccnc(Nc3ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc3)c2)c(C)n1.
What is the InChIKey of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide?
The InChIKey is ZPLOGRMKXAOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-16-5-10-21(17(2)27-16)33-20-11-12-24-22(15-20)28-19-8-6-18(7-9-19)23(30)25-13-14-26-34(31,32)29(3)4/h5-12,15,26H,13-14H2,1-4H3,(H,24,28)(H,25,30).
What are the key properties of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide?
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide is sourced from PubChem (CID 68946406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).