6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide

C24H31N7O4 — CID 89272903

IUPAC6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
SMILESCCOC(CCCCC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)OC
InChIInChI=1S/C24H31N7O4/c1-4-34-22(33-3)16-9-8-15-21(32)26-20-14-10-13-19(25-20)17-35-28-23(18-11-6-5-7-12-18)24-27-29-30-31(24)2/h5-7,10-14,22H,4,8-9,15-17H2,1-3H3,(H,25,26,32)/b28-23-
InChIKeyQFKOHFWAXJOTEH-NFFVHWSESA-N
MW481.56 g/mol
LogP3.08
Rot. Bonds14

About 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide

6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide (PubChem CID 89272903) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide.

Molecular Properties

Compound Name6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
PubChem CID89272903
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
SMILESCCOC(CCCCC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)OC
InChIInChI=1S/C24H31N7O4/c1-4-34-22(33-3)16-9-8-15-21(32)26-20-14-10-13-19(25-20)17-35-28-23(18-11-6-5-7-12-18)24-27-29-30-31(24)2/h5-7,10-14,22H,4,8-9,15-17H2,1-3H3,(H,25,26,32)/b28-23-
InChIKeyQFKOHFWAXJOTEH-NFFVHWSESA-N
XLogP3.08
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

Picarbutrazox
CID 56945144
N-(6-{[({[2-fluoro-3-(trifluoromethyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylidene}amino)oxy]methyl}pyridin-2-yl)hexanamide
CID 86647356
N-[6-[[(E)-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
CID 87452072
(1-ethoxy-2,2,2-trifluoroethyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]carbamate
CID 89272839
2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272843
(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272865
2,2-diethoxy-N-[6-[[(Z)-[(3-fluorophenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272866
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
CID 89272898
2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 89282645
(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]carbamate
CID 89282741
3-(2-fluorophenyl)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 89415104
3-(2-fluorophenyl)-N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 123189864

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide?
The IUPAC name of 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide (CID 89272903) is 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide.
What is the SMILES notation for 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide?
The canonical SMILES for 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide is CCOC(CCCCC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)OC.
What is the InChIKey of 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide?
The InChIKey is QFKOHFWAXJOTEH-NFFVHWSESA-N. The full InChI is InChI=1S/C24H31N7O4/c1-4-34-22(33-3)16-9-8-15-21(32)26-20-14-10-13-19(25-20)17-35-28-23(18-11-6-5-7-12-18)24-27-29-30-31(24)2/h5-7,10-14,22H,4,8-9,15-17H2,1-3H3,(H,25,26,32)/b28-23-.
What are the key properties of 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide?
6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide has a molecular weight of 481.56 g/mol, XLogP of 3.08, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide is sourced from PubChem (CID 89272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).