N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide

C23H19N5O3 — CID 66720314

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1
InChIInChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31)
InChIKeyVMXDOKVLGKHPAC-UHFFFAOYSA-N
MW413.44 g/mol
LogP1.82
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide (PubChem CID 66720314) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide
PubChem CID66720314
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1
InChIInChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31)
InChIKeyVMXDOKVLGKHPAC-UHFFFAOYSA-N
XLogP1.82
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide (CID 66720314) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide?
The InChIKey is VMXDOKVLGKHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c24-21(30)20(29)19(13-15-7-2-1-3-8-15)26-23(31)17-10-6-12-25-22(17)28-14-16-9-4-5-11-18(16)27-28/h1-12,14,19H,13H2,(H2,24,30)(H,26,31).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 66720314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).