1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide

C18H17N3O3 — CID 155564235

IUPAC1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccco1
InChIInChI=1S/C18H17N3O3/c19-17(22)13-10-21(9-12-5-2-1-3-6-12)11-14(18(20)23)16(13)15-7-4-8-24-15/h1-8,10-11,16H,9H2,(H2,19,22)(H2,20,23)
InChIKeyQTESBJMUQHJGTI-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.62
Rot. Bonds5

About 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide

1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide (PubChem CID 155564235) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide
PubChem CID155564235
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccco1
InChIInChI=1S/C18H17N3O3/c19-17(22)13-10-21(9-12-5-2-1-3-6-12)11-14(18(20)23)16(13)15-7-4-8-24-15/h1-8,10-11,16H,9H2,(H2,19,22)(H2,20,23)
InChIKeyQTESBJMUQHJGTI-UHFFFAOYSA-N
XLogP1.62
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide (CID 155564235) is 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide is NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccco1.
What is the InChIKey of 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide?
The InChIKey is QTESBJMUQHJGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-17(22)13-10-21(9-12-5-2-1-3-6-12)11-14(18(20)23)16(13)15-7-4-8-24-15/h1-8,10-11,16H,9H2,(H2,19,22)(H2,20,23).
What are the key properties of 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide?
1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(furan-2-yl)-4H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 155564235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).