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

C11H15FN2O2 — CID 107358712

IUPAC2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
SMILESCOCCCCNC(=O)c1cccnc1F
InChIInChI=1S/C11H15FN2O2/c1-16-8-3-2-6-14-11(15)9-5-4-7-13-10(9)12/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyKYCQNTHSEBDIEF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.38
Rot. Bonds6

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

2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide (PubChem CID 107358712) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
PubChem CID107358712
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
SMILESCOCCCCNC(=O)c1cccnc1F
InChIInChI=1S/C11H15FN2O2/c1-16-8-3-2-6-14-11(15)9-5-4-7-13-10(9)12/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyKYCQNTHSEBDIEF-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
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

2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide (CID 107358712) is 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide is COCCCCNC(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide?
The InChIKey is KYCQNTHSEBDIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-8-3-2-6-14-11(15)9-5-4-7-13-10(9)12/h4-5,7H,2-3,6,8H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide?
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).