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

C21H20N4 — CID 68746503

IUPACN-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
SMILESCc1cc(/N=C/c2ccccn2)c(C)cc1/N=C/Cc1ccccn1
InChIInChI=1S/C21H20N4/c1-16-14-21(25-15-19-8-4-6-11-23-19)17(2)13-20(16)24-12-9-18-7-3-5-10-22-18/h3-8,10-15H,9H2,1-2H3/b24-12+,25-15+
InChIKeyQADOOTXAHJHHBW-WPMHRMROSA-N
MW328.42 g/mol
LogP4.79
Rot. Bonds5

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

N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine (PubChem CID 68746503) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
PubChem CID68746503
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
SMILESCc1cc(/N=C/c2ccccn2)c(C)cc1/N=C/Cc1ccccn1
InChIInChI=1S/C21H20N4/c1-16-14-21(25-15-19-8-4-6-11-23-19)17(2)13-20(16)24-12-9-18-7-3-5-10-22-18/h3-8,10-15H,9H2,1-2H3/b24-12+,25-15+
InChIKeyQADOOTXAHJHHBW-WPMHRMROSA-N
XLogP4.79
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The IUPAC name of N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine (CID 68746503) is N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine.
What is the SMILES notation for N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The canonical SMILES for N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine is Cc1cc(/N=C/c2ccccn2)c(C)cc1/N=C/Cc1ccccn1.
What is the InChIKey of N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
The InChIKey is QADOOTXAHJHHBW-WPMHRMROSA-N. The full InChI is InChI=1S/C21H20N4/c1-16-14-21(25-15-19-8-4-6-11-23-19)17(2)13-20(16)24-12-9-18-7-3-5-10-22-18/h3-8,10-15H,9H2,1-2H3/b24-12+,25-15+.
What are the key properties of N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine?
N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine has a molecular weight of 328.42 g/mol, XLogP of 4.79, 5 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-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine is sourced from PubChem (CID 68746503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).