1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine

C16H14N4 — CID 691990

IUPAC1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine
SMILESc1ccc(Nc2ccccc2Nc2ccccn2)nc1
InChIInChI=1S/C16H14N4/c1-2-8-14(20-16-10-4-6-12-18-16)13(7-1)19-15-9-3-5-11-17-15/h1-12H,(H,17,19)(H,18,20)
InChIKeySOKRFGDZIFVBTM-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.96
Rot. Bonds4

About 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine

1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine (PubChem CID 691990) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine
PubChem CID691990
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine
SMILESc1ccc(Nc2ccccc2Nc2ccccn2)nc1
InChIInChI=1S/C16H14N4/c1-2-8-14(20-16-10-4-6-12-18-16)13(7-1)19-15-9-3-5-11-17-15/h1-12H,(H,17,19)(H,18,20)
InChIKeySOKRFGDZIFVBTM-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine (CID 691990) is 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine is c1ccc(Nc2ccccc2Nc2ccccn2)nc1.
What is the InChIKey of 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine?
The InChIKey is SOKRFGDZIFVBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-8-14(20-16-10-4-6-12-18-16)13(7-1)19-15-9-3-5-11-17-15/h1-12H,(H,17,19)(H,18,20).
What are the key properties of 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine?
1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 691990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).