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

C20H13F6N3O — CID 10387678

IUPAC2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6N3O/c1-11-14(18(30)29-13-6-4-12(5-7-13)19(21,22)23)8-9-16(28-11)17-15(20(24,25)26)3-2-10-27-17/h2-10H,1H3,(H,29,30)
InChIKeyNJROXVHHBVHWPC-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.74
Rot. Bonds3

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

2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 10387678) has the molecular formula C20H13F6N3O and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID10387678
Molecular FormulaC20H13F6N3O
Molecular Weight425.33 g/mol
Exact Mass425.10
IUPAC Name2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6N3O/c1-11-14(18(30)29-13-6-4-12(5-7-13)19(21,22)23)8-9-16(28-11)17-15(20(24,25)26)3-2-10-27-17/h2-10H,1H3,(H,29,30)
InChIKeyNJROXVHHBVHWPC-UHFFFAOYSA-N
XLogP5.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (CID 10387678) is 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is Cc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NJROXVHHBVHWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O/c1-11-14(18(30)29-13-6-4-12(5-7-13)19(21,22)23)8-9-16(28-11)17-15(20(24,25)26)3-2-10-27-17/h2-10H,1H3,(H,29,30).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10387678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).