2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide

C23H17F6N3O4 — CID 10142418

IUPAC2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccnc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C23H17F6N3O4/c24-22(25,26)35-17-5-1-3-14(9-17)12-31-20(33)16-7-8-30-19(11-16)21(34)32-13-15-4-2-6-18(10-15)36-23(27,28)29/h1-11H,12-13H2,(H,31,33)(H,32,34)
InChIKeyNTLJEBHQNVXPPJ-UHFFFAOYSA-N
MW513.39 g/mol
LogP4.74
Rot. Bonds8

About 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide

2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide (PubChem CID 10142418) has the molecular formula C23H17F6N3O4 and a molecular weight of 513.39 g/mol. Its IUPAC name is 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
PubChem CID10142418
Molecular FormulaC23H17F6N3O4
Molecular Weight513.39 g/mol
Exact Mass513.11
IUPAC Name2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccnc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C23H17F6N3O4/c24-22(25,26)35-17-5-1-3-14(9-17)12-31-20(33)16-7-8-30-19(11-16)21(34)32-13-15-4-2-6-18(10-15)36-23(27,28)29/h1-11H,12-13H2,(H,31,33)(H,32,34)
InChIKeyNTLJEBHQNVXPPJ-UHFFFAOYSA-N
XLogP4.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide
CID 162566177
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
1-(4-aminobutyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 144992720
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide (CID 10142418) is 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide is O=C(NCc1cccc(OC(F)(F)F)c1)c1ccnc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide?
The InChIKey is NTLJEBHQNVXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O4/c24-22(25,26)35-17-5-1-3-14(9-17)12-31-20(33)16-7-8-30-19(11-16)21(34)32-13-15-4-2-6-18(10-15)36-23(27,28)29/h1-11H,12-13H2,(H,31,33)(H,32,34).
What are the key properties of 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide?
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide has a molecular weight of 513.39 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 10142418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).