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

C26H21N5O4 — CID 66719865

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C26H21N5O4/c27-24(33)23(32)20(13-16-7-2-1-3-8-16)29-26(34)19-10-6-12-28-25(19)31-14-17-15-35-21-11-5-4-9-18(21)22(17)30-31/h1-12,14,20H,13,15H2,(H2,27,33)(H,29,34)
InChIKeyJEGSGWMHUKCTRB-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.22
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide (PubChem CID 66719865) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
PubChem CID66719865
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C26H21N5O4/c27-24(33)23(32)20(13-16-7-2-1-3-8-16)29-26(34)19-10-6-12-28-25(19)31-14-17-15-35-21-11-5-4-9-18(21)22(17)30-31/h1-12,14,20H,13,15H2,(H2,27,33)(H,29,34)
InChIKeyJEGSGWMHUKCTRB-UHFFFAOYSA-N
XLogP2.22
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.22
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-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide (CID 66719865) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2c(n1)-c1ccccc1OC2.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The InChIKey is JEGSGWMHUKCTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c27-24(33)23(32)20(13-16-7-2-1-3-8-16)29-26(34)19-10-6-12-28-25(19)31-14-17-15-35-21-11-5-4-9-18(21)22(17)30-31/h1-12,14,20H,13,15H2,(H2,27,33)(H,29,34).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 2.22, 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-phenylbutan-2-yl)-2-(4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66719865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).