1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide

C18H14N4O2 — CID 669135

IUPAC1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-5-9-19-10-6-15)13-1-2-14(4-3-13)18(24)22-16-7-11-20-12-8-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeySNQJBANMJKUVHW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.98
Rot. Bonds4

About 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide

1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 669135) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
PubChem CID669135
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-5-9-19-10-6-15)13-1-2-14(4-3-13)18(24)22-16-7-11-20-12-8-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeySNQJBANMJKUVHW-UHFFFAOYSA-N
XLogP2.98
TPSA83.98 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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide (CID 669135) is 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide is O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The InChIKey is SNQJBANMJKUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-15-5-9-19-10-6-15)13-1-2-14(4-3-13)18(24)22-16-7-11-20-12-8-16/h1-12H,(H,19,21,23)(H,20,22,24).
What are the key properties of 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 669135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).