2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide

C23H19F4N3O4 — CID 39047207

IUPAC2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cccc(C(=O)NCc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C23H19F4N3O4/c24-22(25)33-16-8-4-14(5-9-16)12-28-20(31)18-2-1-3-19(30-18)21(32)29-13-15-6-10-17(11-7-15)34-23(26)27/h1-11,22-23H,12-13H2,(H,28,31)(H,29,32)
InChIKeyYXFJHZZRRHFKTC-UHFFFAOYSA-N
MW477.41 g/mol
LogP4.14
Rot. Bonds10

About 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide (PubChem CID 39047207) has the molecular formula C23H19F4N3O4 and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
PubChem CID39047207
Molecular FormulaC23H19F4N3O4
Molecular Weight477.41 g/mol
Exact Mass477.13
IUPAC Name2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cccc(C(=O)NCc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C23H19F4N3O4/c24-22(25)33-16-8-4-14(5-9-16)12-28-20(31)18-2-1-3-19(30-18)21(32)29-13-15-6-10-17(11-7-15)34-23(26)27/h1-11,22-23H,12-13H2,(H,28,31)(H,29,32)
InChIKeyYXFJHZZRRHFKTC-UHFFFAOYSA-N
XLogP4.14
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide (CID 39047207) is 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cccc(C(=O)NCc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide?
The InChIKey is YXFJHZZRRHFKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O4/c24-22(25)33-16-8-4-14(5-9-16)12-28-20(31)18-2-1-3-19(30-18)21(32)29-13-15-6-10-17(11-7-15)34-23(26)27/h1-11,22-23H,12-13H2,(H,28,31)(H,29,32).
What are the key properties of 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide has a molecular weight of 477.41 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 39047207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).