2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide

C19H22F2N2O2 — CID 122480475

IUPAC2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCCC(C)Oc1cccc(NC(=O)c2cccnc2C(F)F)c1C
InChIInChI=1S/C19H22F2N2O2/c1-4-7-12(2)25-16-10-5-9-15(13(16)3)23-19(24)14-8-6-11-22-17(14)18(20)21/h5-6,8-12,18H,4,7H2,1-3H3,(H,23,24)
InChIKeyFZUKKDQBJIUEER-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.15
Rot. Bonds7

About 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide

2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 122480475) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID122480475
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCCC(C)Oc1cccc(NC(=O)c2cccnc2C(F)F)c1C
InChIInChI=1S/C19H22F2N2O2/c1-4-7-12(2)25-16-10-5-9-15(13(16)3)23-19(24)14-8-6-11-22-17(14)18(20)21/h5-6,8-12,18H,4,7H2,1-3H3,(H,23,24)
InChIKeyFZUKKDQBJIUEER-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide (CID 122480475) is 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide is CCCC(C)Oc1cccc(NC(=O)c2cccnc2C(F)F)c1C.
What is the InChIKey of 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is FZUKKDQBJIUEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-4-7-12(2)25-16-10-5-9-15(13(16)3)23-19(24)14-8-6-11-22-17(14)18(20)21/h5-6,8-12,18H,4,7H2,1-3H3,(H,23,24).
What are the key properties of 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide?
2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-methyl-3-pentan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 122480475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).