N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine

C20H18N4 — CID 2728748

IUPACN,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine
SMILESCc1ccnc(/N=C2\c3ccccc3CN2c2cc(C)ccn2)c1
InChIInChI=1S/C20H18N4/c1-14-7-9-21-18(11-14)23-20-17-6-4-3-5-16(17)13-24(20)19-12-15(2)8-10-22-19/h3-12H,13H2,1-2H3/b23-20+
InChIKeyPKBQBGYFGSKDDH-BSYVCWPDSA-N
MW314.39 g/mol
LogP4.19
Rot. Bonds2

About N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine

N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine (PubChem CID 2728748) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine.

Molecular Properties

Compound NameN,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine
PubChem CID2728748
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine
SMILESCc1ccnc(/N=C2\c3ccccc3CN2c2cc(C)ccn2)c1
InChIInChI=1S/C20H18N4/c1-14-7-9-21-18(11-14)23-20-17-6-4-3-5-16(17)13-24(20)19-12-15(2)8-10-22-19/h3-12H,13H2,1-2H3/b23-20+
InChIKeyPKBQBGYFGSKDDH-BSYVCWPDSA-N
XLogP4.19
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine?
The IUPAC name of N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine (CID 2728748) is N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine.
What is the SMILES notation for N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine?
The canonical SMILES for N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine is Cc1ccnc(/N=C2\c3ccccc3CN2c2cc(C)ccn2)c1.
What is the InChIKey of N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine?
The InChIKey is PKBQBGYFGSKDDH-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-7-9-21-18(11-14)23-20-17-6-4-3-5-16(17)13-24(20)19-12-15(2)8-10-22-19/h3-12H,13H2,1-2H3/b23-20+.
What are the key properties of N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine?
N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine has a molecular weight of 314.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methyl-2-pyridinyl)-3H-isoindol-1-imine is sourced from PubChem (CID 2728748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).