6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

C16H18FN3O2 — CID 109153355

IUPAC6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O2/c1-22-10-4-9-18-16(21)12-7-8-15(19-11-12)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDIJXSHYOPLYEO-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.73
Rot. Bonds7

About 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109153355) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109153355
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O2/c1-22-10-4-9-18-16(21)12-7-8-15(19-11-12)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDIJXSHYOPLYEO-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
CID 109161449
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109153355) is 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2ccccc2F)nc1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is JDIJXSHYOPLYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-10-4-9-18-16(21)12-7-8-15(19-11-12)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).