N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide

C₁₈H₂₄N₄O₄ — CID 146110268

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide (PubChem CID 146110268) has the molecular formula C₁₈H₂₄N₄O₄ and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
• PubChem CID: 146110268
• Molecular Formula: C₁₈H₂₄N₄O₄
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.18
• IUPAC Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
• SMILES: COCCOc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)ccn1
• InChI: InChI=1S/C18H24N4O4/c1-25-6-7-26-17-10-14(2-3-20-17)18(24)21-15-8-13(9-16(15)23)11-22-5-4-19-12-22/h2-5,10,12-13,15-16,23H,6-9,11H2,1H3,(H,21,24)/t13?,15-,16-/m1/s1
• InChIKey: SLADVOKQAMCXGH-GNHXQJIDSA-N
• XLogP: 0.87
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?

The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide (CID 146110268) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide is COCCOc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)ccn1.

What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?

The InChIKey is SLADVOKQAMCXGH-GNHXQJIDSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-6-7-26-17-10-14(2-3-20-17)18(24)21-15-8-13(9-16(15)23)11-22-5-4-19-12-22/h2-5,10,12-13,15-16,23H,6-9,11H2,1H3,(H,21,24)/t13?,15-,16-/m1/s1.

What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 146110268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146110268 — identifiers, structure, computed properties (public domain)

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