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

C21H21N3O3 — CID 109097206

IUPAC6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccco2)n1)c1cccc(C)c1
InChIInChI=1S/C21H21N3O3/c1-3-24(16-8-4-7-15(2)13-16)21(26)19-11-5-10-18(23-19)20(25)22-14-17-9-6-12-27-17/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyZMTCENCCSBTOQT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.58
Rot. Bonds6

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

6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109097206) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109097206
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccco2)n1)c1cccc(C)c1
InChIInChI=1S/C21H21N3O3/c1-3-24(16-8-4-7-15(2)13-16)21(26)19-11-5-10-18(23-19)20(25)22-14-17-9-6-12-27-17/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyZMTCENCCSBTOQT-UHFFFAOYSA-N
XLogP3.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
2-N-(4-cyanophenyl)-6-N-ethyl-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109101116
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109097082
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide (CID 109097206) is 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCc2ccco2)n1)c1cccc(C)c1.
What is the InChIKey of 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is ZMTCENCCSBTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24(16-8-4-7-15(2)13-16)21(26)19-11-5-10-18(23-19)20(25)22-14-17-9-6-12-27-17/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide?
6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).