2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide

C13H20FN3O2 — CID 105385379

IUPAC2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCCOC)c1F
InChIInChI=1S/C13H20FN3O2/c1-3-15-12-11(14)10(6-8-16-12)13(18)17-7-4-5-9-19-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGDGJZWLXLWCYRM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.81
Rot. Bonds8

About 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide (PubChem CID 105385379) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
PubChem CID105385379
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCCOC)c1F
InChIInChI=1S/C13H20FN3O2/c1-3-15-12-11(14)10(6-8-16-12)13(18)17-7-4-5-9-19-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGDGJZWLXLWCYRM-UHFFFAOYSA-N
XLogP1.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.81
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

2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-4-carboxamide
CID 105386649
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide (CID 105385379) is 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide is CCNc1nccc(C(=O)NCCCCOC)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide?
The InChIKey is GDGJZWLXLWCYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-3-15-12-11(14)10(6-8-16-12)13(18)17-7-4-5-9-19-2/h6,8H,3-5,7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105385379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).