2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide

C24H31N7O6 — CID 89272897

About 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide

2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide (PubChem CID 89272897) has the molecular formula C24H31N7O6 and a molecular weight of 513.56 g/mol. Its IUPAC name is 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
• PubChem CID: 89272897
• Molecular Formula: C24H31N7O6
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.23
• IUPAC Name: 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
• SMILES: COCCOC(C)(OCCOC)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
• InChI: InChI=1S/C24H31N7O6/c1-24(35-15-13-33-3,36-16-14-34-4)23(32)26-20-12-8-11-19(25-20)17-37-28-21(18-9-6-5-7-10-18)22-27-29-30-31(22)2/h5-12H,13-17H2,1-4H3,(H,25,26,32)/b28-21-
• InChIKey: RXRPVYDIYTVWSF-HFTWOUSFSA-N
• XLogP: 1.55
• TPSA: 144.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?

The IUPAC name of 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide (CID 89272897) is 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide.

What is the SMILES notation for 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?

The canonical SMILES for 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide is COCCOC(C)(OCCOC)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1.

What is the InChIKey of 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?

The InChIKey is RXRPVYDIYTVWSF-HFTWOUSFSA-N. The full InChI is InChI=1S/C24H31N7O6/c1-24(35-15-13-33-3,36-16-14-34-4)23(32)26-20-12-8-11-19(25-20)17-37-28-21(18-9-6-5-7-10-18)22-27-29-30-31(22)2/h5-12H,13-17H2,1-4H3,(H,25,26,32)/b28-21-.

What are the key properties of 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?

2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide has a molecular weight of 513.56 g/mol, XLogP of 1.55, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 89272897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).