3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione

C14H11N3O2 — CID 90480354

IUPAC3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione
SMILESNC1(c2ccccc2)C(=O)Nc2ncccc2C1=O
InChIInChI=1S/C14H11N3O2/c15-14(9-5-2-1-3-6-9)11(18)10-7-4-8-16-12(10)17-13(14)19/h1-8H,15H2,(H,16,17,19)
InChIKeyXSMVWQXWKWZJIN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.07
Rot. Bonds1

About 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione

3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione (PubChem CID 90480354) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione
PubChem CID90480354
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione
SMILESNC1(c2ccccc2)C(=O)Nc2ncccc2C1=O
InChIInChI=1S/C14H11N3O2/c15-14(9-5-2-1-3-6-9)11(18)10-7-4-8-16-12(10)17-13(14)19/h1-8H,15H2,(H,16,17,19)
InChIKeyXSMVWQXWKWZJIN-UHFFFAOYSA-N
XLogP1.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 15292474
2-amino-2-phenylindene-1,3-dione
CID 12652647
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
4-amino-3,4-diphenyl-1H-pyrazol-5-one
CID 13014951
5,8-dioxo-7,9-dihydro-6H-pyrido[2,3-b]azepine-6-carboxylic acid
CID 123452794
6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
CID 58901622
2-sulfanylidene-3,4-dihydro-1H-pyrido[2,3-e][1,2,4]triazepin-5-one
CID 11819943
3-(2-pyridin-2-ylethenyl)-1H-1,8-naphthyridine-2,4-dione
CID 4105826
11-methyl-5,7-dihydropyrido[2,3-d][1,3]benzodiazepin-6-one
CID 175885244
2-phenyl-2,3-dihydro-1H-1,8-naphthyridin-4-one
CID 132536769
(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
CID 176990310
1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 70997318

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione (CID 90480354) is 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione is NC1(c2ccccc2)C(=O)Nc2ncccc2C1=O.
What is the InChIKey of 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is XSMVWQXWKWZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-14(9-5-2-1-3-6-9)11(18)10-7-4-8-16-12(10)17-13(14)19/h1-8H,15H2,(H,16,17,19).
What are the key properties of 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 90480354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).