N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide

C15H23FN2O — CID 115686817

IUPACN-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C15H23FN2O/c1-4-5-6-8-15(2,3)11-18-14(19)12-7-9-17-10-13(12)16/h7,9-10H,4-6,8,11H2,1-3H3,(H,18,19)
InChIKeySQLNSKAUNUDQNG-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.56
Rot. Bonds7

About N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide

N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115686817) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
PubChem CID115686817
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C15H23FN2O/c1-4-5-6-8-15(2,3)11-18-14(19)12-7-9-17-10-13(12)16/h7,9-10H,4-6,8,11H2,1-3H3,(H,18,19)
InChIKeySQLNSKAUNUDQNG-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
CID 103755991
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide (CID 115686817) is N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide is CCCCCC(C)(C)CNC(=O)c1ccncc1F.
What is the InChIKey of N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is SQLNSKAUNUDQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-5-6-8-15(2,3)11-18-14(19)12-7-9-17-10-13(12)16/h7,9-10H,4-6,8,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide?
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 266.36 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115686817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).