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

C23H25ClN6O3 — CID 177211173

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

2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (PubChem CID 177211173) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
• PubChem CID: 177211173
• Molecular Formula: C23H25ClN6O3
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.17
• IUPAC Name: 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-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=NCC(=O)N2)C1
• InChI: InChI=1S/C23H25ClN6O3/c1-13(2)14-6-4-5-7-16(14)23(11-30(12-23)22-27-10-19(31)29-22)21(33)28-17-9-26-18(24)8-15(17)20(32)25-3/h4-9,13H,10-12H2,1-3H3,(H,25,32)(H,28,33)(H,27,29,31)
• InChIKey: IYSYPUISMFIILD-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 115.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
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-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (CID 177211173) is 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-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-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-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=NCC(=O)N2)C1.

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

The InChIKey is IYSYPUISMFIILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3/c1-13(2)14-6-4-5-7-16(14)23(11-30(12-23)22-27-10-19(31)29-22)21(33)28-17-9-26-18(24)8-15(17)20(32)25-3/h4-9,13H,10-12H2,1-3H3,(H,25,32)(H,28,33)(H,27,29,31).

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

2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide has a molecular weight of 468.95 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-5-[[1-(5-oxo-1,4-dihydroimidazol-2-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 177211173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).