N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide

C15H10F2N4O4 — CID 118135794

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
InChIInChI=1S/C15H10F2N4O4/c1-23-8-2-7(5-18-6-8)13(22)21-14-19-9-3-11-12(4-10(9)20-14)25-15(16,17)24-11/h2-6H,1H3,(H2,19,20,21,22)
InChIKeyHXESGMYSKDHCFX-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.54
Rot. Bonds3

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide (PubChem CID 118135794) has the molecular formula C15H10F2N4O4 and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide
PubChem CID118135794
Molecular FormulaC15H10F2N4O4
Molecular Weight348.27 g/mol
Exact Mass348.07
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1
InChIInChI=1S/C15H10F2N4O4/c1-23-8-2-7(5-18-6-8)13(22)21-14-19-9-3-11-12(4-10(9)20-14)25-15(16,17)24-11/h2-6H,1H3,(H2,19,20,21,22)
InChIKeyHXESGMYSKDHCFX-UHFFFAOYSA-N
XLogP2.54
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide (CID 118135794) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide?
The InChIKey is HXESGMYSKDHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O4/c1-23-8-2-7(5-18-6-8)13(22)21-14-19-9-3-11-12(4-10(9)20-14)25-15(16,17)24-11/h2-6H,1H3,(H2,19,20,21,22).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide has a molecular weight of 348.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 118135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).