5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide

C25H18F4N4O — CID 56599160

IUPAC5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C25H18F4N4O/c1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)21-6-5-19(14-31-21)17-3-2-4-20(26)10-17/h2-12,14H,13H2,1H3,(H,33,34)
InChIKeyAEUNTVZNQMEXPE-UHFFFAOYSA-N
MW466.44 g/mol
LogP5.60
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide

5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 56599160) has the molecular formula C25H18F4N4O and a molecular weight of 466.44 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID56599160
Molecular FormulaC25H18F4N4O
Molecular Weight466.44 g/mol
Exact Mass466.14
IUPAC Name5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C25H18F4N4O/c1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)21-6-5-19(14-31-21)17-3-2-4-20(26)10-17/h2-12,14H,13H2,1H3,(H,33,34)
InChIKeyAEUNTVZNQMEXPE-UHFFFAOYSA-N
XLogP5.60
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 56599160) is 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is AEUNTVZNQMEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4O/c1-15-9-16(12-32-23(15)18-7-8-30-22(11-18)25(27,28)29)13-33-24(34)21-6-5-19(14-31-21)17-3-2-4-20(26)10-17/h2-12,14H,13H2,1H3,(H,33,34).
What are the key properties of 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56599160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).