2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile

C15H10N4OS — CID 170895244

IUPAC2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CC(=S)N2
InChIInChI=1S/C15H10N4OS/c16-7-9-12(8-4-2-1-3-5-8)13-10(20)6-11(21)18-15(13)19-14(9)17/h1-5H,6H2,(H3,17,18,19,21)
InChIKeyGUDICHHMTUDHDE-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.53
Rot. Bonds1

About 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile

2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile (PubChem CID 170895244) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile
PubChem CID170895244
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CC(=S)N2
InChIInChI=1S/C15H10N4OS/c16-7-9-12(8-4-2-1-3-5-8)13-10(20)6-11(21)18-15(13)19-14(9)17/h1-5H,6H2,(H3,17,18,19,21)
InChIKeyGUDICHHMTUDHDE-UHFFFAOYSA-N
XLogP2.53
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
13-amino-2,9,17-trioxo-15-phenyl-1,10,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene-14-carbonitrile
CID 11794207
7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile
CID 100988453
2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 1230355
(1R,9R)-4-amino-10,10-dimethyl-6-phenyl-3-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene-5-carbonitrile
CID 127030444
2-amino-4-(2-hydroxyphenyl)-6-methyl-5-phenylpyridine-3-carbonitrile
CID 137127538
2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 86127467
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile (CID 170895244) is 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CC(=S)N2.
What is the InChIKey of 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is GUDICHHMTUDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-7-9-12(8-4-2-1-3-5-8)13-10(20)6-11(21)18-15(13)19-14(9)17/h1-5H,6H2,(H3,17,18,19,21).
What are the key properties of 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile?
2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-phenyl-7-sulfanylidene-8H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 170895244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).