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

C20H17N3O4 — CID 109085243

IUPAC4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-19(25)15-8-9-21-18(11-15)20(26)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeySRCUPUXJZMNGAS-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.06
Rot. Bonds6

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

4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085243) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085243
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-19(25)15-8-9-21-18(11-15)20(26)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeySRCUPUXJZMNGAS-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

2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085243) is 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is SRCUPUXJZMNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13(24)14-4-6-16(7-5-14)23-19(25)15-8-9-21-18(11-15)20(26)22-12-17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(4-acetylphenyl)-2-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 4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).