5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide

C21H21N3O3 — CID 109104899

IUPAC5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-21(26)17-10-16(11-22-12-17)20(25)23-13-18-8-5-9-27-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUBDZPDUJXJRLIP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.73
Rot. Bonds6

About 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109104899) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109104899
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-21(26)17-10-16(11-22-12-17)20(25)23-13-18-8-5-9-27-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUBDZPDUJXJRLIP-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

N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109231371
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104924
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109104899) is 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is UBDZPDUJXJRLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-15-7-4-6-14(2)19(15)24-21(26)17-10-16(11-22-12-17)20(25)23-13-18-8-5-9-27-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-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 5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).