N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide

C16H16F2N2O4 — CID 86828234

IUPACN-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C16H16F2N2O4/c1-22-6-7-24-16-11(4-3-5-19-16)15(21)20-10-8-12(17)14(23-2)13(18)9-10/h3-5,8-9H,6-7H2,1-2H3,(H,20,21)
InChIKeyJAJXTKOJFAHMRN-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.65
Rot. Bonds7

About N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide

N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 86828234) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID86828234
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C16H16F2N2O4/c1-22-6-7-24-16-11(4-3-5-19-16)15(21)20-10-8-12(17)14(23-2)13(18)9-10/h3-5,8-9H,6-7H2,1-2H3,(H,20,21)
InChIKeyJAJXTKOJFAHMRN-UHFFFAOYSA-N
XLogP2.65
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide (CID 86828234) is N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide is COCCOc1ncccc1C(=O)Nc1cc(F)c(OC)c(F)c1.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is JAJXTKOJFAHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-22-6-7-24-16-11(4-3-5-19-16)15(21)20-10-8-12(17)14(23-2)13(18)9-10/h3-5,8-9H,6-7H2,1-2H3,(H,20,21).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide?
N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 86828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).