6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

C15H16FN3O2 — CID 58368231

IUPAC6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cn2)cn1
InChIInChI=1S/C15H16FN3O2/c1-2-3-8-21-14-7-4-11(9-18-14)15(20)19-13-6-5-12(16)10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,20)
InChIKeyDWMIPORINNLQNL-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.05
Rot. Bonds6

About 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 58368231) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID58368231
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cn2)cn1
InChIInChI=1S/C15H16FN3O2/c1-2-3-8-21-14-7-4-11(9-18-14)15(20)19-13-6-5-12(16)10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,20)
InChIKeyDWMIPORINNLQNL-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (CID 58368231) is 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is CCCCOc1ccc(C(=O)Nc2ccc(F)cn2)cn1.
What is the InChIKey of 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DWMIPORINNLQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-3-8-21-14-7-4-11(9-18-14)15(20)19-13-6-5-12(16)10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,17,19,20).
What are the key properties of 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 58368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).