6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide

C21H21N3O4 — CID 109097100

IUPAC6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVDYGGIYCPPWHJV-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.59
Rot. Bonds8

About 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide

6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 109097100) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
PubChem CID109097100
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVDYGGIYCPPWHJV-UHFFFAOYSA-N
XLogP2.59
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109097171
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833087

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide (CID 109097100) is 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide is COc1ccc(CCNC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is VDYGGIYCPPWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).