1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen

C21H33N5O2 — CID 159543887

About 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen

1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen (PubChem CID 159543887) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen
• PubChem CID: 159543887
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen
• SMILES: CC(=O)c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H27N5O2.3H2/c1-13(2)11-15-12-26(10-9-23-15)18-7-6-16(14(3)27)19(25-18)20(28)17-5-4-8-24-21(17)22;;;/h4-8,13,15,23H,9-12H2,1-3H3,(H2,22,24);3*1H/t15-;;;/m0.../s1
• InChIKey: MENYJURMWGNNAW-CFZZCFLMSA-N
• XLogP: 3.05
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen?

The IUPAC name of 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen (CID 159543887) is 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen.

What is the SMILES notation for 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen?

The canonical SMILES for 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen is CC(=O)c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.[H][H].[H][H].[H][H].

What is the InChIKey of 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen?

The InChIKey is MENYJURMWGNNAW-CFZZCFLMSA-N. The full InChI is InChI=1S/C21H27N5O2.3H2/c1-13(2)11-15-12-26(10-9-23-15)18-7-6-16(14(3)27)19(25-18)20(28)17-5-4-8-24-21(17)22;;;/h4-8,13,15,23H,9-12H2,1-3H3,(H2,22,24);3*1H/t15-;;;/m0.../s1.

What are the key properties of 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen?

1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen has a molecular weight of 387.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen is sourced from PubChem (CID 159543887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).