2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide

C16H14F6N4O — CID 2796051

IUPAC2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H14F6N4O/c1-9-10(5-6-12(25-9)16(20,21)22)14(27)24-8-7-23-13-4-2-3-11(26-13)15(17,18)19/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27)
InChIKeyANFYTGKURMQXIG-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.66
Rot. Bonds5

About 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide

2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 2796051) has the molecular formula C16H14F6N4O and a molecular weight of 392.30 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID2796051
Molecular FormulaC16H14F6N4O
Molecular Weight392.30 g/mol
Exact Mass392.11
IUPAC Name2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H14F6N4O/c1-9-10(5-6-12(25-9)16(20,21)22)14(27)24-8-7-23-13-4-2-3-11(26-13)15(17,18)19/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27)
InChIKeyANFYTGKURMQXIG-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide (CID 2796051) is 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCNc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ANFYTGKURMQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N4O/c1-9-10(5-6-12(25-9)16(20,21)22)14(27)24-8-7-23-13-4-2-3-11(26-13)15(17,18)19/h2-6H,7-8H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide?
2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2796051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).