2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

C20H17N3O4 — CID 109085109

IUPAC2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccco3)ccn2)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-20(26)18-11-15(8-9-21-18)19(25)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWVORXRPGWWEXMD-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.06
Rot. Bonds6

About 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085109) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085109
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccco3)ccn2)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-20(26)18-11-15(8-9-21-18)19(25)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWVORXRPGWWEXMD-UHFFFAOYSA-N
XLogP3.06
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085109) is 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccco3)ccn2)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is WVORXRPGWWEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-20(26)18-11-15(8-9-21-18)19(25)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).