4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

C20H19N3O3 — CID 109085201

IUPAC4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H19N3O3/c1-13-8-14(2)10-16(9-13)23-19(24)15-5-6-21-18(11-15)20(25)22-12-17-4-3-7-26-17/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDOEHNNRUXUNLLK-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.47
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085201) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085201
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H19N3O3/c1-13-8-14(2)10-16(9-13)23-19(24)15-5-6-21-18(11-15)20(25)22-12-17-4-3-7-26-17/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDOEHNNRUXUNLLK-UHFFFAOYSA-N
XLogP3.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085201) is 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is DOEHNNRUXUNLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-8-14(2)10-16(9-13)23-19(24)15-5-6-21-18(11-15)20(25)22-12-17-4-3-7-26-17/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).