N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide

C26H23N5O4 — CID 66720148

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1
InChIInChI=1S/C26H23N5O4/c1-35-19-11-9-18(10-12-19)21-13-15-31(30-21)25-20(8-5-14-28-25)26(34)29-22(23(32)24(27)33)16-17-6-3-2-4-7-17/h2-15,22H,16H2,1H3,(H2,27,33)(H,29,34)
InChIKeyHOCLFGFXNUVPOM-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.34
Rot. Bonds9

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 66720148) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID66720148
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1
InChIInChI=1S/C26H23N5O4/c1-35-19-11-9-18(10-12-19)21-13-15-31(30-21)25-20(8-5-14-28-25)26(34)29-22(23(32)24(27)33)16-17-6-3-2-4-7-17/h2-15,22H,16H2,1H3,(H2,27,33)(H,29,34)
InChIKeyHOCLFGFXNUVPOM-UHFFFAOYSA-N
XLogP2.34
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 66720148) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide is COc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is HOCLFGFXNUVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-35-19-11-9-18(10-12-19)21-13-15-31(30-21)25-20(8-5-14-28-25)26(34)29-22(23(32)24(27)33)16-17-6-3-2-4-7-17/h2-15,22H,16H2,1H3,(H2,27,33)(H,29,34).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.34, 9 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-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66720148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).