5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C17H13F2N3O2 — CID 109187626

IUPAC5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H13F2N3O2/c18-11-3-5-15(14(19)8-11)22-12-4-6-16(20-9-12)17(23)21-10-13-2-1-7-24-13/h1-9,22H,10H2,(H,21,23)
InChIKeyKSLVUZMXTYXBAY-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.63
Rot. Bonds5

About 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109187626) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109187626
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H13F2N3O2/c18-11-3-5-15(14(19)8-11)22-12-4-6-16(20-9-12)17(23)21-10-13-2-1-7-24-13/h1-9,22H,10H2,(H,21,23)
InChIKeyKSLVUZMXTYXBAY-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

2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109187626) is 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KSLVUZMXTYXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-11-3-5-15(14(19)8-11)22-12-4-6-16(20-9-12)17(23)21-10-13-2-1-7-24-13/h1-9,22H,10H2,(H,21,23).
What are the key properties of 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
5-(2,4-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 5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).