1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine

C30H25N7 — CID 102340427

IUPAC1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
SMILESC(=N/c1ccccc1NC(Nc1ccccc1/N=C/c1ccccn1)c1ccccn1)\c1ccccn1
InChIInChI=1S/C30H25N7/c1-3-15-27(25(13-1)34-21-23-11-5-8-18-31-23)36-30(29-17-7-10-20-33-29)37-28-16-4-2-14-26(28)35-22-24-12-6-9-19-32-24/h1-22,30,36-37H/b34-21+,35-22+
InChIKeyXSLMJFMCVXQASV-TWOPAUOSSA-N
MW483.58 g/mol
LogP6.60
Rot. Bonds9

About 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine

1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine (PubChem CID 102340427) has the molecular formula C30H25N7 and a molecular weight of 483.58 g/mol. Its IUPAC name is 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
PubChem CID102340427
Molecular FormulaC30H25N7
Molecular Weight483.58 g/mol
Exact Mass483.22
IUPAC Name1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
SMILESC(=N/c1ccccc1NC(Nc1ccccc1/N=C/c1ccccn1)c1ccccn1)\c1ccccn1
InChIInChI=1S/C30H25N7/c1-3-15-27(25(13-1)34-21-23-11-5-8-18-31-23)36-30(29-17-7-10-20-33-29)37-28-16-4-2-14-26(28)35-22-24-12-6-9-19-32-24/h1-22,30,36-37H/b34-21+,35-22+
InChIKeyXSLMJFMCVXQASV-TWOPAUOSSA-N
XLogP6.60
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-pyridin-2-ylmethanimine;platinum(2+)
CID 58233097
4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
CID 67386670
N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
CID 122549135
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
CID 175684000
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine?
The IUPAC name of 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine (CID 102340427) is 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine.
What is the SMILES notation for 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine?
The canonical SMILES for 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine is C(=N/c1ccccc1NC(Nc1ccccc1/N=C/c1ccccn1)c1ccccn1)\c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine?
The InChIKey is XSLMJFMCVXQASV-TWOPAUOSSA-N. The full InChI is InChI=1S/C30H25N7/c1-3-15-27(25(13-1)34-21-23-11-5-8-18-31-23)36-30(29-17-7-10-20-33-29)37-28-16-4-2-14-26(28)35-22-24-12-6-9-19-32-24/h1-22,30,36-37H/b34-21+,35-22+.
What are the key properties of 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine?
1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine has a molecular weight of 483.58 g/mol, XLogP of 6.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine is sourced from PubChem (CID 102340427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).