N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide

C27H35N7O — CID 142302625

About N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide

N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide (PubChem CID 142302625) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide.

Molecular Properties

• Compound Name: N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide
• PubChem CID: 142302625
• Molecular Formula: C27H35N7O
• Molecular Weight: 473.63 g/mol
• Exact Mass: 473.29
• IUPAC Name: N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide
• SMILES: [H]/N=N/N(CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)CC1)/C(C)=N/[H]
• InChI: InChI=1S/C27H35N7O/c1-16(2)26-23-14-21(6-7-24(23)31-27(26)22-12-17(3)30-18(4)13-22)20-8-10-33(11-9-20)25(35)15-34(32-29)19(5)28/h6-7,12-14,16,20,28-29,31H,8-11,15H2,1-5H3/b28-19+,32-29+
• InChIKey: JAADRGUMHFZNMS-FVAAQFFJSA-N
• XLogP: 5.92
• TPSA: 112.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.63
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide?

The IUPAC name of N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide (CID 142302625) is N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide.

What is the SMILES notation for N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide?

The canonical SMILES for N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide is [H]/N=N/N(CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)CC1)/C(C)=N/[H].

What is the InChIKey of N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide?

The InChIKey is JAADRGUMHFZNMS-FVAAQFFJSA-N. The full InChI is InChI=1S/C27H35N7O/c1-16(2)26-23-14-21(6-7-24(23)31-27(26)22-12-17(3)30-18(4)13-22)20-8-10-33(11-9-20)25(35)15-34(32-29)19(5)28/h6-7,12-14,16,20,28-29,31H,8-11,15H2,1-5H3/b28-19+,32-29+.

What are the key properties of N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide?

N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide has a molecular weight of 473.63 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide is sourced from PubChem (CID 142302625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).