1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine

C32H28N8 — CID 139175237

IUPAC1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1.c1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1
InChIInChI=1S/2C16H14N4/c2*1-3-11-17-15(5-1)19-13-7-9-14(10-8-13)20-16-6-2-4-12-18-16/h2*1-12H,(H,17,19)(H,18,20)
InChIKeyUXVWTSFEQUMFNJ-UHFFFAOYSA-N
MW524.63 g/mol
LogP7.93
Rot. Bonds8

About 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine

1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine (PubChem CID 139175237) has the molecular formula C32H28N8 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
PubChem CID139175237
Molecular FormulaC32H28N8
Molecular Weight524.63 g/mol
Exact Mass524.24
IUPAC Name1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1.c1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1
InChIInChI=1S/2C16H14N4/c2*1-3-11-17-15(5-1)19-13-7-9-14(10-8-13)20-16-6-2-4-12-18-16/h2*1-12H,(H,17,19)(H,18,20)
InChIKeyUXVWTSFEQUMFNJ-UHFFFAOYSA-N
XLogP7.93
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-2-amine
CID 82535700
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
N-(4-pyrazin-2-yloxyphenyl)pyridin-2-amine
CID 59374194
N-(6-tert-butylnaphthalen-2-yl)pyridin-2-amine
CID 58514141
N-[4-(3-aminophenoxy)phenyl]pyridin-2-amine
CID 173139958
methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
CID 13054234

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine (CID 139175237) is 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1.c1ccc(Nc2ccc(Nc3ccccn3)cc2)nc1.
What is the InChIKey of 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine?
The InChIKey is UXVWTSFEQUMFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N4/c2*1-3-11-17-15(5-1)19-13-7-9-14(10-8-13)20-16-6-2-4-12-18-16/h2*1-12H,(H,17,19)(H,18,20).
What are the key properties of 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine?
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine has a molecular weight of 524.63 g/mol, XLogP of 7.93, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 139175237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).