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

C18H16N6O3 — CID 153385349

IUPACN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1ccnn1-c1ccncc1
InChIInChI=1S/C18H16N6O3/c19-17(26)16(25)14(10-12-2-1-6-21-11-12)23-18(27)15-5-9-22-24(15)13-3-7-20-8-4-13/h1-9,11,14H,10H2,(H2,19,26)(H,23,27)
InChIKeyCVMHADKFNXVGES-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.06
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 153385349) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID153385349
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1ccnn1-c1ccncc1
InChIInChI=1S/C18H16N6O3/c19-17(26)16(25)14(10-12-2-1-6-21-11-12)23-18(27)15-5-9-22-24(15)13-3-7-20-8-4-13/h1-9,11,14H,10H2,(H2,19,26)(H,23,27)
InChIKeyCVMHADKFNXVGES-UHFFFAOYSA-N
XLogP0.06
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385592
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyltriazole-4-carboxamide
CID 142753841
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 149453599
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-hydroxy-4-oxo-1-pyridin-2-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153386146
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluoro-1-phenylpyrazole-5-carboxamide
CID 142753568
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-chloro-1-phenylpyrazole-5-carboxamide
CID 142753520
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-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide (CID 153385349) is N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide is NC(=O)C(=O)C(Cc1cccnc1)NC(=O)c1ccnn1-c1ccncc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is CVMHADKFNXVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c19-17(26)16(25)14(10-12-2-1-6-21-11-12)23-18(27)15-5-9-22-24(15)13-3-7-20-8-4-13/h1-9,11,14H,10H2,(H2,19,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.06, 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)-2-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 153385349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).