N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide

C21H23N5O3 — CID 56678963

About N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide

N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide (PubChem CID 56678963) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 56678963
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cn1
• InChI: InChI=1S/C21H23N5O3/c1-13-23-18-6-2-3-8-19(18)26(13)12-15-10-9-14(11-22-15)20(27)24-17-7-4-5-16(17)21(28)25-29/h2-3,6,8-11,16-17,29H,4-5,7,12H2,1H3,(H,24,27)(H,25,28)/t16-,17+/m0/s1
• InChIKey: JKXLDQBQCXALPZ-DLBZAZTESA-N
• XLogP: 2.19
• TPSA: 109.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide (CID 56678963) is N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide is Cc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)cn1.

What is the InChIKey of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide?

The InChIKey is JKXLDQBQCXALPZ-DLBZAZTESA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-23-18-6-2-3-8-19(18)26(13)12-15-10-9-14(11-22-15)20(27)24-17-7-4-5-16(17)21(28)25-29/h2-3,6,8-11,16-17,29H,4-5,7,12H2,1H3,(H,24,27)(H,25,28)/t16-,17+/m0/s1.

What are the key properties of N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide?

N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56678963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).