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

C25H20F3N5O — CID 56597378

IUPAC5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cccnc1-c1ccc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)nc1
InChIInChI=1S/C25H20F3N5O/c1-15-4-3-8-30-22(15)19-5-6-20(31-14-19)24(34)33-13-17-10-16(2)23(32-12-17)18-7-9-29-21(11-18)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,33,34)
InChIKeyUABMXOUETPLCCI-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.17
Rot. Bonds5

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

5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 56597378) has the molecular formula C25H20F3N5O and a molecular weight of 463.46 g/mol. Its IUPAC name is 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID56597378
Molecular FormulaC25H20F3N5O
Molecular Weight463.46 g/mol
Exact Mass463.16
IUPAC Name5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cccnc1-c1ccc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)nc1
InChIInChI=1S/C25H20F3N5O/c1-15-4-3-8-30-22(15)19-5-6-20(31-14-19)24(34)33-13-17-10-16(2)23(32-12-17)18-7-9-29-21(11-18)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,33,34)
InChIKeyUABMXOUETPLCCI-UHFFFAOYSA-N
XLogP5.17
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 56597378) is 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cccnc1-c1ccc(C(=O)NCc2cnc(-c3ccnc(C(F)(F)F)c3)c(C)c2)nc1.
What is the InChIKey of 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is UABMXOUETPLCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O/c1-15-4-3-8-30-22(15)19-5-6-20(31-14-19)24(34)33-13-17-10-16(2)23(32-12-17)18-7-9-29-21(11-18)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,33,34).
What are the key properties of 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56597378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).