(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C21H31N5O — CID 159071801

About (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159071801) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 159071801
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.[H][H]
• InChI: InChI=1S/C21H29N5O.H2/c1-4-15-12-26(13-16(24-15)11-14(2)3)19-9-5-8-18(25-19)20(27)17-7-6-10-23-21(17)22;/h5-10,14-16,24H,4,11-13H2,1-3H3,(H2,22,23);1H/t15-,16-;/m0./s1
• InChIKey: JZSYKMJSQUAUQN-MOGJOVFKSA-N
• XLogP: 3.14
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 159071801) is (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is CC[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.[H][H].

What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is JZSYKMJSQUAUQN-MOGJOVFKSA-N. The full InChI is InChI=1S/C21H29N5O.H2/c1-4-15-12-26(13-16(24-15)11-14(2)3)19-9-5-8-18(25-19)20(27)17-7-6-10-23-21(17)22;/h5-10,14-16,24H,4,11-13H2,1-3H3,(H2,22,23);1H/t15-,16-;/m0./s1.

What are the key properties of (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 369.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-3-pyridinyl)-[6-[(3S,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159071801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).