6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide

C13H13FN2O2 — CID 63977964

IUPAC6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(F)nc2)o1
InChIInChI=1S/C13H13FN2O2/c1-8-3-5-11(18-8)9(2)16-13(17)10-4-6-12(14)15-7-10/h3-7,9H,1-2H3,(H,16,17)
InChIKeyNOAYKTNWJZKTRX-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.61
Rot. Bonds3

About 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide

6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 63977964) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID63977964
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(F)nc2)o1
InChIInChI=1S/C13H13FN2O2/c1-8-3-5-11(18-8)9(2)16-13(17)10-4-6-12(14)15-7-10/h3-7,9H,1-2H3,(H,16,17)
InChIKeyNOAYKTNWJZKTRX-UHFFFAOYSA-N
XLogP2.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700403
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700400
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
5-chloro-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 62249621
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
CID 94679161
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide (CID 63977964) is 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(F)nc2)o1.
What is the InChIKey of 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is NOAYKTNWJZKTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-3-5-11(18-8)9(2)16-13(17)10-4-6-12(14)15-7-10/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63977964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).