N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide

C24H18F3N3O2 — CID 11669282

IUPACN-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C#Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1
InChIInChI=1S/C24H18F3N3O2/c1-15-6-9-18(22(31)30-20-5-3-4-19(13-20)24(25,26)27)12-17(15)10-7-16-8-11-21(29-14-16)23(32)28-2/h3-6,8-9,11-14H,1-2H3,(H,28,32)(H,30,31)
InChIKeyZMHVJFIIASNLTM-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.42
Rot. Bonds3

About N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide

N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide (PubChem CID 11669282) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide
PubChem CID11669282
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C#Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1
InChIInChI=1S/C24H18F3N3O2/c1-15-6-9-18(22(31)30-20-5-3-4-19(13-20)24(25,26)27)12-17(15)10-7-16-8-11-21(29-14-16)23(32)28-2/h3-6,8-9,11-14H,1-2H3,(H,28,32)(H,30,31)
InChIKeyZMHVJFIIASNLTM-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide (CID 11669282) is N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide is CNC(=O)c1ccc(C#Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1.
What is the InChIKey of N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide?
The InChIKey is ZMHVJFIIASNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-15-6-9-18(22(31)30-20-5-3-4-19(13-20)24(25,26)27)12-17(15)10-7-16-8-11-21(29-14-16)23(32)28-2/h3-6,8-9,11-14H,1-2H3,(H,28,32)(H,30,31).
What are the key properties of N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide?
N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]pyridine-2-carboxamide is sourced from PubChem (CID 11669282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).