6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide

C14H15FN2O3 — CID 115497634

IUPAC6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cccc(F)n1
InChIInChI=1S/C14H15FN2O3/c15-13-6-1-5-12(17-13)14(18)16-7-3-8-19-10-11-4-2-9-20-11/h1-2,4-6,9H,3,7-8,10H2,(H,16,18)
InChIKeyJHQCCDLONRRJQP-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.15
Rot. Bonds7

About 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide

6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide (PubChem CID 115497634) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
PubChem CID115497634
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cccc(F)n1
InChIInChI=1S/C14H15FN2O3/c15-13-6-1-5-12(17-13)14(18)16-7-3-8-19-10-11-4-2-9-20-11/h1-2,4-6,9H,3,7-8,10H2,(H,16,18)
InChIKeyJHQCCDLONRRJQP-UHFFFAOYSA-N
XLogP2.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[3-(furan-2-ylmethoxy)propyl]-6-methoxyquinoline-2-carboxamide
CID 78833071
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47055040
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
CID 86989821

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide (CID 115497634) is 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide is O=C(NCCCOCc1ccco1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide?
The InChIKey is JHQCCDLONRRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-13-6-1-5-12(17-13)14(18)16-7-3-8-19-10-11-4-2-9-20-11/h1-2,4-6,9H,3,7-8,10H2,(H,16,18).
What are the key properties of 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide?
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).