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

C24H18F3N5O — CID 56597240

IUPAC5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(F)(F)F)c3)nc2)nc1
InChIInChI=1S/C24H18F3N5O/c1-15-19(3-2-9-28-15)18-5-7-21(31-14-18)23(33)32-13-16-4-6-20(30-12-16)17-8-10-29-22(11-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,32,33)
InChIKeySQLHCHRLMLXONB-UHFFFAOYSA-N
MW449.44 g/mol
LogP4.86
Rot. Bonds5

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

5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 56597240) has the molecular formula C24H18F3N5O and a molecular weight of 449.44 g/mol. Its IUPAC name is 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID56597240
Molecular FormulaC24H18F3N5O
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(F)(F)F)c3)nc2)nc1
InChIInChI=1S/C24H18F3N5O/c1-15-19(3-2-9-28-15)18-5-7-21(31-14-18)23(33)32-13-16-4-6-20(30-12-16)17-8-10-29-22(11-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,32,33)
InChIKeySQLHCHRLMLXONB-UHFFFAOYSA-N
XLogP4.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 56597240) is 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(F)(F)F)c3)nc2)nc1.
What is the InChIKey of 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is SQLHCHRLMLXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O/c1-15-19(3-2-9-28-15)18-5-7-21(31-14-18)23(33)32-13-16-4-6-20(30-12-16)17-8-10-29-22(11-17)24(25,26)27/h2-12,14H,13H2,1H3,(H,32,33).
What are the key properties of 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56597240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).