[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium

C28H26N4+2 — CID 58524866

IUPAC[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(CCc4cc[nH+]cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H24N4/c29-19-21-6-9-23(10-7-21)28-24(22-4-2-1-3-5-22)18-25-26(31-17-14-27(25)32-28)11-8-20-12-15-30-16-13-20/h1-7,9-10,12-18H,8,11,19,29H2/p+2
InChIKeyPGKVZQYCGSKQDI-UHFFFAOYSA-P
MW418.54 g/mol
LogP4.30
Rot. Bonds6

About [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524866) has the molecular formula C28H26N4+2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524866
Molecular FormulaC28H26N4+2
Molecular Weight418.54 g/mol
Exact Mass418.21
IUPAC Name[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(CCc4cc[nH+]cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H24N4/c29-19-21-6-9-23(10-7-21)28-24(22-4-2-1-3-5-22)18-25-26(31-17-14-27(25)32-28)11-8-20-12-15-30-16-13-20/h1-7,9-10,12-18H,8,11,19,29H2/p+2
InChIKeyPGKVZQYCGSKQDI-UHFFFAOYSA-P
XLogP4.30
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium with MolForge

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Related Compounds

[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721

Frequently Asked Questions

What is the IUPAC name of [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524866) is [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(CCc4cc[nH+]cc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is PGKVZQYCGSKQDI-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H24N4/c29-19-21-6-9-23(10-7-21)28-24(22-4-2-1-3-5-22)18-25-26(31-17-14-27(25)32-28)11-8-20-12-15-30-16-13-20/h1-7,9-10,12-18H,8,11,19,29H2/p+2.
What are the key properties of [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 418.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).