4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

C21H21N3O3 — CID 109085207

IUPAC4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-20(25)16-9-10-22-18(12-16)21(26)23-13-17-8-5-11-27-17/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXSSICIISOSLBRP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.73
Rot. Bonds6

About 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085207) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085207
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-20(25)16-9-10-22-18(12-16)21(26)23-13-17-8-5-11-27-17/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXSSICIISOSLBRP-UHFFFAOYSA-N
XLogP3.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
4-N-(2-ethyl-6-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085969
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086371
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085207) is 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is XSSICIISOSLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-20(25)16-9-10-22-18(12-16)21(26)23-13-17-8-5-11-27-17/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).