2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide

C24H27ClN6O3 — CID 177211038

About 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide

2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (PubChem CID 177211038) has the molecular formula C24H27ClN6O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
• PubChem CID: 177211038
• Molecular Formula: C24H27ClN6O3
• Molecular Weight: 482.97 g/mol
• Exact Mass: 482.18
• IUPAC Name: 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cc(Cl)ncc1NC(=O)C1(c2ccccc2C(C)C)CN(C2=NC(=O)CN2C)C1
• InChI: InChI=1S/C24H27ClN6O3/c1-14(2)15-7-5-6-8-17(15)24(12-31(13-24)23-29-20(32)11-30(23)4)22(34)28-18-10-27-19(25)9-16(18)21(33)26-3/h5-10,14H,11-13H2,1-4H3,(H,26,33)(H,28,34)
• InChIKey: HGGJQFWZTSTVNY-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 107.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.97
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (CID 177211038) is 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide is CNC(=O)c1cc(Cl)ncc1NC(=O)C1(c2ccccc2C(C)C)CN(C2=NC(=O)CN2C)C1.

What is the InChIKey of 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The InChIKey is HGGJQFWZTSTVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3/c1-14(2)15-7-5-6-8-17(15)24(12-31(13-24)23-29-20(32)11-30(23)4)22(34)28-18-10-27-19(25)9-16(18)21(33)26-3/h5-10,14H,11-13H2,1-4H3,(H,26,33)(H,28,34).

What are the key properties of 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-5-[[1-(3-methyl-5-oxo-4H-imidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 177211038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).