N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine

C26H22N4 — CID 1048779

IUPACN-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
SMILESCc1cc(-c2ccc(/N=C/c3cccnc3)c(C)c2)ccc1/N=C/c1cccnc1
InChIInChI=1S/C26H22N4/c1-19-13-23(7-9-25(19)29-17-21-5-3-11-27-15-21)24-8-10-26(20(2)14-24)30-18-22-6-4-12-28-16-22/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyRGDQJCKXNWTYLQ-YAGSLNJISA-N
MW390.49 g/mol
LogP6.26
Rot. Bonds5

About N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine

N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine (PubChem CID 1048779) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
PubChem CID1048779
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
SMILESCc1cc(-c2ccc(/N=C/c3cccnc3)c(C)c2)ccc1/N=C/c1cccnc1
InChIInChI=1S/C26H22N4/c1-19-13-23(7-9-25(19)29-17-21-5-3-11-27-15-21)24-8-10-26(20(2)14-24)30-18-22-6-4-12-28-16-22/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyRGDQJCKXNWTYLQ-YAGSLNJISA-N
XLogP6.26
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.26
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-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine?
The IUPAC name of N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine (CID 1048779) is N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine is Cc1cc(-c2ccc(/N=C/c3cccnc3)c(C)c2)ccc1/N=C/c1cccnc1.
What is the InChIKey of N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine?
The InChIKey is RGDQJCKXNWTYLQ-YAGSLNJISA-N. The full InChI is InChI=1S/C26H22N4/c1-19-13-23(7-9-25(19)29-17-21-5-3-11-27-15-21)24-8-10-26(20(2)14-24)30-18-22-6-4-12-28-16-22/h3-18H,1-2H3/b29-17+,30-18+.
What are the key properties of N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine?
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine has a molecular weight of 390.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 1048779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).