N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide

C17H14N6O3S — CID 146713405

IUPACN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1nsnc1-c1cccnc1
InChIInChI=1S/C17H14N6O3S/c18-16(25)15(24)12(8-11-5-1-2-7-20-11)21-17(26)14-13(22-27-23-14)10-4-3-6-19-9-10/h1-7,9,12H,8H2,(H2,18,25)(H,21,26)
InChIKeyRCTPOBBFRAHUNC-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.39
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 146713405) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
PubChem CID146713405
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1nsnc1-c1cccnc1
InChIInChI=1S/C17H14N6O3S/c18-16(25)15(24)12(8-11-5-1-2-7-20-11)21-17(26)14-13(22-27-23-14)10-4-3-6-19-9-10/h1-7,9,12H,8H2,(H2,18,25)(H,21,26)
InChIKeyRCTPOBBFRAHUNC-UHFFFAOYSA-N
XLogP0.39
TPSA140.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 134397603
N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385512
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-5-yl)butan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147165549
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147907616
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385571
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 146778445
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385303
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-4-yl-1,2,5-thiadiazole-3-carboxamide
CID 147196611
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 147054726
N-[4-amino-1-(1-methylpyrrol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147878190
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 149188122
N-[4-amino-1-(1,4-dihydropyrrolo[3,2-b]pyrrol-6-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385867

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide (CID 146713405) is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide is NC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1nsnc1-c1cccnc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RCTPOBBFRAHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c18-16(25)15(24)12(8-11-5-1-2-7-20-11)21-17(26)14-13(22-27-23-14)10-4-3-6-19-9-10/h1-7,9,12H,8H2,(H2,18,25)(H,21,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 146713405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).