N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide

C15H13F4N3O2 — CID 91644166

IUPACN-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C15H13F4N3O2/c16-10-12(11(17)14(19)21-13(10)18)22-5-1-4-9(22)15(23)20-7-8-3-2-6-24-8/h2-3,6,9H,1,4-5,7H2,(H,20,23)
InChIKeyGVJDRAJPOKQUKN-UHFFFAOYSA-N
MW343.28 g/mol
LogP2.52
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 91644166) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID91644166
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC NameN-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C15H13F4N3O2/c16-10-12(11(17)14(19)21-13(10)18)22-5-1-4-9(22)15(23)20-7-8-3-2-6-24-8/h2-3,6,9H,1,4-5,7H2,(H,20,23)
InChIKeyGVJDRAJPOKQUKN-UHFFFAOYSA-N
XLogP2.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636817
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
CID 91662072
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
(2R)-1-(6-ethoxypyrazin-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636784
(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide
CID 136783558

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide (CID 91644166) is N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is GVJDRAJPOKQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c16-10-12(11(17)14(19)21-13(10)18)22-5-1-4-9(22)15(23)20-7-8-3-2-6-24-8/h2-3,6,9H,1,4-5,7H2,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 343.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91644166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).