1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide

C26H17F3N4O4 — CID 59362348

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Oc1ccc2[nH]c(=O)[nH]c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H17F3N4O4/c27-17-8-6-14(11-19(17)29)13-33-10-2-3-16(25(33)35)24(34)32-23-18(28)4-1-5-22(23)37-15-7-9-20-21(12-15)31-26(36)30-20/h1-12H,13H2,(H,32,34)(H2,30,31,36)
InChIKeyYDHMXBGUAKGAGO-UHFFFAOYSA-N
MW506.44 g/mol
LogP4.53
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362348) has the molecular formula C26H17F3N4O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID59362348
Molecular FormulaC26H17F3N4O4
Molecular Weight506.44 g/mol
Exact Mass506.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Oc1ccc2[nH]c(=O)[nH]c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H17F3N4O4/c27-17-8-6-14(11-19(17)29)13-33-10-2-3-16(25(33)35)24(34)32-23-18(28)4-1-5-22(23)37-15-7-9-20-21(12-15)31-26(36)30-20/h1-12H,13H2,(H,32,34)(H2,30,31,36)
InChIKeyYDHMXBGUAKGAGO-UHFFFAOYSA-N
XLogP4.53
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide (CID 59362348) is 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1c(F)cccc1Oc1ccc2[nH]c(=O)[nH]c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is YDHMXBGUAKGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O4/c27-17-8-6-14(11-19(17)29)13-33-10-2-3-16(25(33)35)24(34)32-23-18(28)4-1-5-22(23)37-15-7-9-20-21(12-15)31-26(36)30-20/h1-12H,13H2,(H,32,34)(H2,30,31,36).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[2-fluoro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).