2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C23H28N6O — CID 126654155

About 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126654155) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 126654155
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: CN(Cc1ccccc1)[C@H]1CCCC1NC(=O)c1cc(-c2cnn(C)c2)cnc1N
• InChI: InChI=1S/C23H28N6O/c1-28(14-16-7-4-3-5-8-16)21-10-6-9-20(21)27-23(30)19-11-17(12-25-22(19)24)18-13-26-29(2)15-18/h3-5,7-8,11-13,15,20-21H,6,9-10,14H2,1-2H3,(H2,24,25)(H,27,30)/t20?,21-/m0/s1
• InChIKey: CSMGQPSNSVGTDY-LBAQZLPGSA-N
• XLogP: 2.85
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126654155) is 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CN(Cc1ccccc1)[C@H]1CCCC1NC(=O)c1cc(-c2cnn(C)c2)cnc1N.

What is the InChIKey of 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is CSMGQPSNSVGTDY-LBAQZLPGSA-N. The full InChI is InChI=1S/C23H28N6O/c1-28(14-16-7-4-3-5-8-16)21-10-6-9-20(21)27-23(30)19-11-17(12-25-22(19)24)18-13-26-29(2)15-18/h3-5,7-8,11-13,15,20-21H,6,9-10,14H2,1-2H3,(H2,24,25)(H,27,30)/t20?,21-/m0/s1.

What are the key properties of 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126654155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).