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

C18H15N5O3S — CID 153385966

IUPACN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1cnsc1-c1ccccn1
InChIInChI=1S/C18H15N5O3S/c19-17(25)15(24)14(8-11-4-3-6-20-9-11)23-18(26)12-10-22-27-16(12)13-5-1-2-7-21-13/h1-7,9-10,14H,8H2,(H2,19,25)(H,23,26)
InChIKeyQDFDMLXYYWGKBX-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.00
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 153385966) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
PubChem CID153385966
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1cnsc1-c1ccccn1
InChIInChI=1S/C18H15N5O3S/c19-17(25)15(24)14(8-11-4-3-6-20-9-11)23-18(26)12-10-22-27-16(12)13-5-1-2-7-21-13/h1-7,9-10,14H,8H2,(H2,19,25)(H,23,26)
InChIKeyQDFDMLXYYWGKBX-UHFFFAOYSA-N
XLogP1.00
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865
N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 152855471
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 153385951
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386125
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46870403
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153386322
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide (CID 153385966) is N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide is NC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1cnsc1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is QDFDMLXYYWGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c19-17(25)15(24)14(8-11-4-3-6-20-9-11)23-18(26)12-10-22-27-16(12)13-5-1-2-7-21-13/h1-7,9-10,14H,8H2,(H2,19,25)(H,23,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 153385966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).