N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine

C22H22N4 — CID 68747629

IUPACN-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
SMILESCc1cc(/N=C/Cc2ccccn2)c(C)cc1/N=C/Cc1ccccn1
InChIInChI=1S/C22H22N4/c1-17-15-22(26-14-10-20-8-4-6-12-24-20)18(2)16-21(17)25-13-9-19-7-3-5-11-23-19/h3-8,11-16H,9-10H2,1-2H3/b25-13+,26-14+
InChIKeyDRSCTZQRWGULFN-BKHCZYBLSA-N
MW342.45 g/mol
LogP4.98
Rot. Bonds6

About N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine

N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine (PubChem CID 68747629) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
PubChem CID68747629
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
SMILESCc1cc(/N=C/Cc2ccccn2)c(C)cc1/N=C/Cc1ccccn1
InChIInChI=1S/C22H22N4/c1-17-15-22(26-14-10-20-8-4-6-12-24-20)18(2)16-21(17)25-13-9-19-7-3-5-11-23-19/h3-8,11-16H,9-10H2,1-2H3/b25-13+,26-14+
InChIKeyDRSCTZQRWGULFN-BKHCZYBLSA-N
XLogP4.98
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68746503
N-[4-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine;nickel;tetrahydrobromide
CID 173107657
nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide
CID 173107216
N-[4-[3,5-di(propan-2-yl)-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-di(propan-2-yl)phenyl]-2-pyridin-2-ylethanimine
CID 68749083
N-[4-[3-bromo-2-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-6-methylphenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine
CID 69492765
N-propyl-2-pyridin-2-ylethanimine
CID 66967042
2-prop-2-enylpyridine
CID 3015241
2-ethylpyridine;sulfane
CID 67363352
3,6-ditert-butyl-4-methoxybenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-2-pyridin-2-ylethanimine;nickel(2+)
CID 160633623
N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90458685
N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90457301
N-[2,5-dimethyl-4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]-1-(6-pyridin-2-yl-2-pyridinyl)methanimine;iron;tetrahydrobromide
CID 173091119

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The IUPAC name of N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine (CID 68747629) is N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine.
What is the SMILES notation for N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The canonical SMILES for N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine is Cc1cc(/N=C/Cc2ccccn2)c(C)cc1/N=C/Cc1ccccn1.
What is the InChIKey of N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The InChIKey is DRSCTZQRWGULFN-BKHCZYBLSA-N. The full InChI is InChI=1S/C22H22N4/c1-17-15-22(26-14-10-20-8-4-6-12-24-20)18(2)16-21(17)25-13-9-19-7-3-5-11-23-19/h3-8,11-16H,9-10H2,1-2H3/b25-13+,26-14+.
What are the key properties of N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine has a molecular weight of 342.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine is sourced from PubChem (CID 68747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).