N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C34H36N6O5 — CID 67239212

IUPACN-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)C(=O)[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C34H36N6O5/c41-31(34(43)36-26-10-11-26)30(23-24-8-12-27(13-9-24)45-22-19-39-17-20-44-21-18-39)37-33(42)28-7-4-15-35-32(28)40-16-14-29(38-40)25-5-2-1-3-6-25/h1-9,12-16,26,30H,10-11,17-23H2,(H,36,43)(H,37,42)/t30-/m1/s1
InChIKeyUKEWIHMDKBECQG-SSEXGKCCSA-N
MW608.70 g/mol
LogP2.83
Rot. Bonds13

About N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 67239212) has the molecular formula C34H36N6O5 and a molecular weight of 608.70 g/mol. Its IUPAC name is N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID67239212
Molecular FormulaC34H36N6O5
Molecular Weight608.70 g/mol
Exact Mass608.27
IUPAC NameN-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)C(=O)[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C34H36N6O5/c41-31(34(43)36-26-10-11-26)30(23-24-8-12-27(13-9-24)45-22-19-39-17-20-44-21-18-39)37-33(42)28-7-4-15-35-32(28)40-16-14-29(38-40)25-5-2-1-3-6-25/h1-9,12-16,26,30H,10-11,17-23H2,(H,36,43)(H,37,42)/t30-/m1/s1
InChIKeyUKEWIHMDKBECQG-SSEXGKCCSA-N
XLogP2.83
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-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-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 67239212) is N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is O=C(NC1CC1)C(=O)[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is UKEWIHMDKBECQG-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H36N6O5/c41-31(34(43)36-26-10-11-26)30(23-24-8-12-27(13-9-24)45-22-19-39-17-20-44-21-18-39)37-33(42)28-7-4-15-35-32(28)40-16-14-29(38-40)25-5-2-1-3-6-25/h1-9,12-16,26,30H,10-11,17-23H2,(H,36,43)(H,37,42)/t30-/m1/s1.
What are the key properties of N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 608.70 g/mol, XLogP of 2.83, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(cyclopropylamino)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,4-dioxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).