N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide

C14H11F6N3O2 — CID 658458

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccco1
InChIInChI=1S/C14H11F6N3O2/c15-13(16,17)12(14(18,19)20,22-8-9-4-1-2-6-21-9)23-11(24)10-5-3-7-25-10/h1-7,22H,8H2,(H,23,24)
InChIKeyKWQYFGSNZNSTPQ-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.02
Rot. Bonds5

About N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide

N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 658458) has the molecular formula C14H11F6N3O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide
PubChem CID658458
Molecular FormulaC14H11F6N3O2
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccco1
InChIInChI=1S/C14H11F6N3O2/c15-13(16,17)12(14(18,19)20,22-8-9-4-1-2-6-21-9)23-11(24)10-5-3-7-25-10/h1-7,22H,8H2,(H,23,24)
InChIKeyKWQYFGSNZNSTPQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-(pyridin-2-ylamino)propanoate
CID 3580849
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
ethyl (2S)-3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 29093375
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111191865
N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
CID 723261
(4E)-4-(furan-2-carbonylhydrazinylidene)-3-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158757
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-hydroxypropanoate
CID 3751835

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide (CID 658458) is N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide is O=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccco1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is KWQYFGSNZNSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O2/c15-13(16,17)12(14(18,19)20,22-8-9-4-1-2-6-21-9)23-11(24)10-5-3-7-25-10/h1-7,22H,8H2,(H,23,24).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide?
N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 658458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).