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

C18H14N4O2 — CID 669131

IUPAC1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-4-8-19-9-5-15)13-2-1-3-14(12-13)18(24)22-16-6-10-20-11-7-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeyMTLPBQYRVAWPQH-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.98
Rot. Bonds4

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

1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide (PubChem CID 669131) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
PubChem CID669131
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-4-8-19-9-5-15)13-2-1-3-14(12-13)18(24)22-16-6-10-20-11-7-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKeyMTLPBQYRVAWPQH-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,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide (CID 669131) is 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide is O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
The InChIKey is MTLPBQYRVAWPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-15-4-8-19-9-5-15)13-2-1-3-14(12-13)18(24)22-16-6-10-20-11-7-16/h1-12H,(H,19,21,23)(H,20,22,24).
What are the key properties of 1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide?
1-N,3-N-dipyridin-4-ylbenzene-1,3-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,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 669131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).