2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide

C19H15N3OS6 — CID 102485370

IUPAC2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide
SMILESCc1cc(C)c2ccc(NC(=O)C3=CSC(=C4SC5=C(SCCS5)S4)S3)nc2n1
InChIInChI=1S/C19H15N3OS6/c1-9-7-10(2)20-14-11(9)3-4-13(21-14)22-15(23)12-8-26-18(27-12)19-28-16-17(29-19)25-6-5-24-16/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22,23)
InChIKeyGWTKMZCCNUGYRO-UHFFFAOYSA-N
MW493.75 g/mol
LogP6.72
Rot. Bonds2

About 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide

2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide (PubChem CID 102485370) has the molecular formula C19H15N3OS6 and a molecular weight of 493.75 g/mol. Its IUPAC name is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide.

Molecular Properties

Compound Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide
PubChem CID102485370
Molecular FormulaC19H15N3OS6
Molecular Weight493.75 g/mol
Exact Mass492.95
IUPAC Name2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide
SMILESCc1cc(C)c2ccc(NC(=O)C3=CSC(=C4SC5=C(SCCS5)S4)S3)nc2n1
InChIInChI=1S/C19H15N3OS6/c1-9-7-10(2)20-14-11(9)3-4-13(21-14)22-15(23)12-8-26-18(27-12)19-28-16-17(29-19)25-6-5-24-16/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22,23)
InChIKeyGWTKMZCCNUGYRO-UHFFFAOYSA-N
XLogP6.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.75
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide with MolForge

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Related Compounds

N-(5,7-dimethyl-1,8-naphthyridin-2-yl)butanamide
CID 6488581
N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-ethoxyfuran-2-carboxamide
CID 18524750
N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide
CID 121016050
N-[5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]cyclohexanecarboxamide
CID 16667917
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-4-N,5-N-diethyl-1,3-dithiole-4,5-dicarboxamide
CID 101368878
N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione
CID 139062414
2-(1,3-dithiol-2-ylidene)-N-pyrimidin-5-yl-1,3-dithiole-4-carboxamide
CID 101496940
N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479827
[2-[2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)amino]-2-sulfanylideneethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 139645266
3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide
CID 171913422
N-(1-difluoroboranylpyridin-1-ium-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine
CID 102313630
2-[(5,6-dimethyl-2-pyridinyl)carbamoyl]-4,5-dimethylbenzoic acid
CID 118593260

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide?
The IUPAC name of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide (CID 102485370) is 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide.
What is the SMILES notation for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide?
The canonical SMILES for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide is Cc1cc(C)c2ccc(NC(=O)C3=CSC(=C4SC5=C(SCCS5)S4)S3)nc2n1.
What is the InChIKey of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide?
The InChIKey is GWTKMZCCNUGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS6/c1-9-7-10(2)20-14-11(9)3-4-13(21-14)22-15(23)12-8-26-18(27-12)19-28-16-17(29-19)25-6-5-24-16/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide?
2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide has a molecular weight of 493.75 g/mol, XLogP of 6.72, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-1,3-dithiole-4-carboxamide is sourced from PubChem (CID 102485370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).