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

C22H24F3N7O4 — CID 89282645

IUPAC2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCOC(C)(OCC(F)(F)F)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C22H24F3N7O4/c1-4-34-21(2,35-14-22(23,24)25)20(33)27-17-12-8-11-16(26-17)13-36-29-18(15-9-6-5-7-10-15)19-28-30-31-32(19)3/h5-12H,4,13-14H2,1-3H3,(H,26,27,33)/b29-18-
InChIKeyQLAGRKQDWZIEMW-MIXAMLLLSA-N
MW507.47 g/mol
LogP2.84
Rot. Bonds11

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

2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 89282645) has the molecular formula C22H24F3N7O4 and a molecular weight of 507.47 g/mol. Its IUPAC name is 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID89282645
Molecular FormulaC22H24F3N7O4
Molecular Weight507.47 g/mol
Exact Mass507.18
IUPAC Name2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCOC(C)(OCC(F)(F)F)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C22H24F3N7O4/c1-4-34-21(2,35-14-22(23,24)25)20(33)27-17-12-8-11-16(26-17)13-36-29-18(15-9-6-5-7-10-15)19-28-30-31-32(19)3/h5-12H,4,13-14H2,1-3H3,(H,26,27,33)/b29-18-
InChIKeyQLAGRKQDWZIEMW-MIXAMLLLSA-N
XLogP2.84
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 89282645) is 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide is CCOC(C)(OCC(F)(F)F)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1.
What is the InChIKey of 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QLAGRKQDWZIEMW-MIXAMLLLSA-N. The full InChI is InChI=1S/C22H24F3N7O4/c1-4-34-21(2,35-14-22(23,24)25)20(33)27-17-12-8-11-16(26-17)13-36-29-18(15-9-6-5-7-10-15)19-28-30-31-32(19)3/h5-12H,4,13-14H2,1-3H3,(H,26,27,33)/b29-18-.
What are the key properties of 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide?
2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 507.47 g/mol, XLogP of 2.84, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 89282645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).