4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide

C18H14N4O2 — CID 159949723

IUPAC4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C18H14N4O2/c19-17(23)15-10-16(18(20)24)14(12-3-7-22-8-4-12)9-13(15)11-1-5-21-6-2-11/h1-10H,(H2,19,23)(H2,20,24)
InChIKeyOBYIYBRTOBFFEY-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.01
Rot. Bonds4

About 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide

4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide (PubChem CID 159949723) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
PubChem CID159949723
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)c(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C18H14N4O2/c19-17(23)15-10-16(18(20)24)14(12-3-7-22-8-4-12)9-13(15)11-1-5-21-6-2-11/h1-10H,(H2,19,23)(H2,20,24)
InChIKeyOBYIYBRTOBFFEY-UHFFFAOYSA-N
XLogP2.01
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide (CID 159949723) is 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide is NC(=O)c1cc(C(N)=O)c(-c2ccncc2)cc1-c1ccncc1.
What is the InChIKey of 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The InChIKey is OBYIYBRTOBFFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-17(23)15-10-16(18(20)24)14(12-3-7-22-8-4-12)9-13(15)11-1-5-21-6-2-11/h1-10H,(H2,19,23)(H2,20,24).
What are the key properties of 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide?
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 159949723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).