4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C17H13F2N3O2 — CID 109209444

IUPAC4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H13F2N3O2/c18-14-4-3-11(8-15(14)19)22-12-5-6-20-16(9-12)17(23)21-10-13-2-1-7-24-13/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyVFPKINPFDIIYDP-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.63
Rot. Bonds5

About 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109209444) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109209444
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H13F2N3O2/c18-14-4-3-11(8-15(14)19)22-12-5-6-20-16(9-12)17(23)21-10-13-2-1-7-24-13/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyVFPKINPFDIIYDP-UHFFFAOYSA-N
XLogP3.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
4-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209418
4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209439
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
4-[2-(dimethylamino)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109207271
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109209444) is 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1cc(Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VFPKINPFDIIYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-14-4-3-11(8-15(14)19)22-12-5-6-20-16(9-12)17(23)21-10-13-2-1-7-24-13/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).