2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide

C12H17FN2O — CID 61293855

IUPAC2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(2)4-3-6-15-12(16)10-5-7-14-11(13)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyQSDYGJWSYULCSZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.39
Rot. Bonds5

About 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide

2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide (PubChem CID 61293855) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
PubChem CID61293855
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(2)4-3-6-15-12(16)10-5-7-14-11(13)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyQSDYGJWSYULCSZ-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide (CID 61293855) is 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide is CC(C)CCCNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide?
The InChIKey is QSDYGJWSYULCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(2)4-3-6-15-12(16)10-5-7-14-11(13)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide?
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 61293855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).