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

C21H21N3O3 — CID 109104870

IUPAC5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c25-20(23-10-4-8-16-6-2-1-3-7-16)17-12-18(14-22-13-17)21(26)24-15-19-9-5-11-27-19/h1-3,5-7,9,11-14H,4,8,10,15H2,(H,23,25)(H,24,26)
InChIKeyJMJIHEBDXPUHHQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.97
Rot. Bonds8

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

5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 109104870) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
PubChem CID109104870
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c25-20(23-10-4-8-16-6-2-1-3-7-16)17-12-18(14-22-13-17)21(26)24-15-19-9-5-11-27-19/h1-3,5-7,9,11-14H,4,8,10,15H2,(H,23,25)(H,24,26)
InChIKeyJMJIHEBDXPUHHQ-UHFFFAOYSA-N
XLogP2.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812

Frequently Asked Questions

What is the IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide (CID 109104870) is 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide is O=C(NCCCc1ccccc1)c1cncc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is JMJIHEBDXPUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(23-10-4-8-16-6-2-1-3-7-16)17-12-18(14-22-13-17)21(26)24-15-19-9-5-11-27-19/h1-3,5-7,9,11-14H,4,8,10,15H2,(H,23,25)(H,24,26).
What are the key properties of 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).