5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one

C19H14N5O2+ — CID 123944481

IUPAC5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one
SMILESNc1cc[n+](-c2nccc3c2cc(N=O)c(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C19H13N5O2/c20-13-7-10-23(11-8-13)18-15-12-16(22-26)19(25)24(17(15)6-9-21-18)14-4-2-1-3-5-14/h1-12,20H/p+1
InChIKeyHOMHTOJVAVYUID-UHFFFAOYSA-O
MW344.35 g/mol
LogP2.64
Rot. Bonds3

About 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one

5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one (PubChem CID 123944481) has the molecular formula C19H14N5O2+ and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one
PubChem CID123944481
Molecular FormulaC19H14N5O2+
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one
SMILESNc1cc[n+](-c2nccc3c2cc(N=O)c(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C19H13N5O2/c20-13-7-10-23(11-8-13)18-15-12-16(22-26)19(25)24(17(15)6-9-21-18)14-4-2-1-3-5-14/h1-12,20H/p+1
InChIKeyHOMHTOJVAVYUID-UHFFFAOYSA-O
XLogP2.64
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one (CID 123944481) is 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one is Nc1cc[n+](-c2nccc3c2cc(N=O)c(=O)n3-c2ccccc2)cc1.
What is the InChIKey of 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one?
The InChIKey is HOMHTOJVAVYUID-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H13N5O2/c20-13-7-10-23(11-8-13)18-15-12-16(22-26)19(25)24(17(15)6-9-21-18)14-4-2-1-3-5-14/h1-12,20H/p+1.
What are the key properties of 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one?
5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one has a molecular weight of 344.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyridin-1-ium-1-yl)-3-nitroso-1-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 123944481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).