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

C22H17N4+ — CID 58524392

IUPAC[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
SMILESN#Cc1nccc2nc(-c3ccc(C[NH3+])cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4/c23-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(26-22)10-11-25-21(19)14-24/h1-12H,13,23H2/p+1
InChIKeyJJRHATULNZZFPW-UHFFFAOYSA-O
MW337.41 g/mol
LogP3.58
Rot. Bonds3

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

[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium (PubChem CID 58524392) has the molecular formula C22H17N4+ and a molecular weight of 337.41 g/mol. Its IUPAC name is [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
PubChem CID58524392
Molecular FormulaC22H17N4+
Molecular Weight337.41 g/mol
Exact Mass337.14
IUPAC Name[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
SMILESN#Cc1nccc2nc(-c3ccc(C[NH3+])cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4/c23-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(26-22)10-11-25-21(19)14-24/h1-12H,13,23H2/p+1
InChIKeyJJRHATULNZZFPW-UHFFFAOYSA-O
XLogP3.58
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
[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-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The IUPAC name of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium (CID 58524392) is [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium.
What is the SMILES notation for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The canonical SMILES for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium is N#Cc1nccc2nc(-c3ccc(C[NH3+])cc3)c(-c3ccccc3)cc12.
What is the InChIKey of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
The InChIKey is JJRHATULNZZFPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H16N4/c23-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(26-22)10-11-25-21(19)14-24/h1-12H,13,23H2/p+1.
What are the key properties of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium?
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium has a molecular weight of 337.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium is sourced from PubChem (CID 58524392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).