6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide

C16H16F2N2O2 — CID 58368196

IUPAC6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H16F2N2O2/c1-2-3-8-22-15-7-4-11(10-19-15)16(21)20-14-6-5-12(17)9-13(14)18/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyBHDNTINCPPVEMM-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.79
Rot. Bonds6

About 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide

6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide (PubChem CID 58368196) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide
PubChem CID58368196
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H16F2N2O2/c1-2-3-8-22-15-7-4-11(10-19-15)16(21)20-14-6-5-12(17)9-13(14)18/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyBHDNTINCPPVEMM-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide (CID 58368196) is 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide is CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is BHDNTINCPPVEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-2-3-8-22-15-7-4-11(10-19-15)16(21)20-14-6-5-12(17)9-13(14)18/h4-7,9-10H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide?
6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(2,4-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58368196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).