N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide

C10H14FN3O — CID 63978211

IUPACN-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C10H14FN3O/c11-9-4-3-8(7-14-9)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6,12H2,(H,13,15)
InChIKeyCLZOWVZZQPZRKT-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.69
Rot. Bonds5

About N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide

N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63978211) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
PubChem CID63978211
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC NameN-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C10H14FN3O/c11-9-4-3-8(7-14-9)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6,12H2,(H,13,15)
InChIKeyCLZOWVZZQPZRKT-UHFFFAOYSA-N
XLogP0.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide (CID 63978211) is N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide is NCCCCNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is CLZOWVZZQPZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-9-4-3-8(7-14-9)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6,12H2,(H,13,15).
What are the key properties of N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide?
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 211.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).