(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H28N4O — CID 45172895

About (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45172895) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 45172895
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccnc(N)c4)C3)C2)c1
• InChI: InChI=1S/C22H28N4O/c1-17-4-2-5-18(12-17)14-25-10-3-7-22(15-25)8-11-26(16-22)21(27)19-6-9-24-20(23)13-19/h2,4-6,9,12-13H,3,7-8,10-11,14-16H2,1H3,(H2,23,24)
• InChIKey: SKMOMIGAQLFYFJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 62.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45172895) is (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccnc(N)c4)C3)C2)c1.

What is the InChIKey of (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is SKMOMIGAQLFYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-4-2-5-18(12-17)14-25-10-3-7-22(15-25)8-11-26(16-22)21(27)19-6-9-24-20(23)13-19/h2,4-6,9,12-13H,3,7-8,10-11,14-16H2,1H3,(H2,23,24).

What are the key properties of (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45172895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).