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

C19H18N6O3 — CID 153484047

IUPACN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H18N6O3/c1-25-16(14-7-3-5-9-22-14)13(11-23-25)19(28)24-15(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,11,15H,10H2,1H3,(H2,20,27)(H,24,28)
InChIKeyROXDESIGBMLHFZ-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.27
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 153484047) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID153484047
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1
InChIInChI=1S/C19H18N6O3/c1-25-16(14-7-3-5-9-22-14)13(11-23-25)19(28)24-15(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,11,15H,10H2,1H3,(H2,20,27)(H,24,28)
InChIKeyROXDESIGBMLHFZ-UHFFFAOYSA-N
XLogP0.27
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.27
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-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 149188122
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
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-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
CID 159912137
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(1-benzothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 153484023
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153484119
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
CID 164775131
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-2-ylbutan-2-yl)-4-pyridin-3-yl-1,2,5-thiadiazole-3-carboxamide
CID 146713405
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide (CID 153484047) is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ROXDESIGBMLHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-25-16(14-7-3-5-9-22-14)13(11-23-25)19(28)24-15(17(26)18(20)27)10-12-6-2-4-8-21-12/h2-9,11,15H,10H2,1H3,(H2,20,27)(H,24,28).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 0.27, 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-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 153484047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).