6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

C17H16F3N3O2 — CID 109093750

IUPAC6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10(2)21-15(24)13-7-4-8-14(23-13)16(25)22-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyADXXLWYYMZSQLZ-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.49
Rot. Bonds4

About 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 109093750) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID109093750
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N3O2/c1-10(2)21-15(24)13-7-4-8-14(23-13)16(25)22-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyADXXLWYYMZSQLZ-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722

Frequently Asked Questions

What is the IUPAC name of 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CID 109093750) is 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is ADXXLWYYMZSQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10(2)21-15(24)13-7-4-8-14(23-13)16(25)22-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109093750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).