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

C18H15F2N5O4 — CID 118117807

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H15F2N5O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25/h5-9H,1-4H2,(H2,22,23,24,26)
InChIKeyNOKXSFZAOPOZAL-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.37
Rot. Bonds3

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 118117807) has the molecular formula C18H15F2N5O4 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID118117807
Molecular FormulaC18H15F2N5O4
Molecular Weight403.35 g/mol
Exact Mass403.11
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H15F2N5O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25/h5-9H,1-4H2,(H2,22,23,24,26)
InChIKeyNOKXSFZAOPOZAL-UHFFFAOYSA-N
XLogP2.37
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide (CID 118117807) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is NOKXSFZAOPOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25/h5-9H,1-4H2,(H2,22,23,24,26).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 403.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118117807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).