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

C14H8F2N4O3 — CID 72720602

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccnc1
InChIInChI=1S/C14H8F2N4O3/c15-14(16)22-10-4-8-9(5-11(10)23-14)19-13(18-8)20-12(21)7-2-1-3-17-6-7/h1-6H,(H2,18,19,20,21)
InChIKeyJWTIDBHBJIQGDN-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.53
Rot. Bonds2

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide (PubChem CID 72720602) has the molecular formula C14H8F2N4O3 and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide
PubChem CID72720602
Molecular FormulaC14H8F2N4O3
Molecular Weight318.24 g/mol
Exact Mass318.06
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccnc1
InChIInChI=1S/C14H8F2N4O3/c15-14(16)22-10-4-8-9(5-11(10)23-14)19-13(18-8)20-12(21)7-2-1-3-17-6-7/h1-6H,(H2,18,19,20,21)
InChIKeyJWTIDBHBJIQGDN-UHFFFAOYSA-N
XLogP2.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide (CID 72720602) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccnc1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide?
The InChIKey is JWTIDBHBJIQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O3/c15-14(16)22-10-4-8-9(5-11(10)23-14)19-13(18-8)20-12(21)7-2-1-3-17-6-7/h1-6H,(H2,18,19,20,21).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyridine-3-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 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)pyridine-3-carboxamide is sourced from PubChem (CID 72720602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).