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

C18H16F6N4O2 — CID 112843302

IUPACN-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(CCN(C)C(=O)c1ccc(C(F)(F)F)nc1)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H16F6N4O2/c1-27(15(29)11-3-5-13(25-9-11)17(19,20)21)7-8-28(2)16(30)12-4-6-14(26-10-12)18(22,23)24/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGTXPMFJAJURTON-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 112843302) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID112843302
Molecular FormulaC18H16F6N4O2
Molecular Weight434.34 g/mol
Exact Mass434.12
IUPAC NameN-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(CCN(C)C(=O)c1ccc(C(F)(F)F)nc1)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H16F6N4O2/c1-27(15(29)11-3-5-13(25-9-11)17(19,20)21)7-8-28(2)16(30)12-4-6-14(26-10-12)18(22,23)24/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGTXPMFJAJURTON-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 112843302) is N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CN(CCN(C)C(=O)c1ccc(C(F)(F)F)nc1)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GTXPMFJAJURTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2/c1-27(15(29)11-3-5-13(25-9-11)17(19,20)21)7-8-28(2)16(30)12-4-6-14(26-10-12)18(22,23)24/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 112843302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).