2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide

C23H29N7O4 — CID 136930920

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCN1NNN=C1/C(=N\OCc1cccc(NC(=O)CC2OCC(C)(C)CO2)n1)c1ccccc1
InChIInChI=1S/C23H29N7O4/c1-23(2)14-32-20(33-15-23)12-19(31)25-18-11-7-10-17(24-18)13-34-27-21(16-8-5-4-6-9-16)22-26-28-29-30(22)3/h4-11,20,28-29H,12-15H2,1-3H3,(H,24,25,31)/b27-21-
InChIKeySYIXOQCQMRBTJU-MEFGMAGPSA-N
MW467.53 g/mol
LogP2.00
Rot. Bonds8

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide

2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 136930920) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
PubChem CID136930920
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCN1NNN=C1/C(=N\OCc1cccc(NC(=O)CC2OCC(C)(C)CO2)n1)c1ccccc1
InChIInChI=1S/C23H29N7O4/c1-23(2)14-32-20(33-15-23)12-19(31)25-18-11-7-10-17(24-18)13-34-27-21(16-8-5-4-6-9-16)22-26-28-29-30(22)3/h4-11,20,28-29H,12-15H2,1-3H3,(H,24,25,31)/b27-21-
InChIKeySYIXOQCQMRBTJU-MEFGMAGPSA-N
XLogP2.00
TPSA121.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 136930918
1-ethoxypropan-2-yl N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 136930939
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
CID 89272898
(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 123423572
(1-ethoxycyclopropyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272899
5-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]pentanamide
CID 89272878
2-(1,3-dioxan-2-yl)propan-2-yl N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272891
tert-butyl N-[6-[[(E)-[(2-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 131741639
2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272897
3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272926
(2E)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-propoxyiminopropanamide
CID 58567422
2-ethoxy-2-ethylsulfanyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272788

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide (CID 136930920) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide is CN1NNN=C1/C(=N\OCc1cccc(NC(=O)CC2OCC(C)(C)CO2)n1)c1ccccc1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The InChIKey is SYIXOQCQMRBTJU-MEFGMAGPSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-23(2)14-32-20(33-15-23)12-19(31)25-18-11-7-10-17(24-18)13-34-27-21(16-8-5-4-6-9-16)22-26-28-29-30(22)3/h4-11,20,28-29H,12-15H2,1-3H3,(H,24,25,31)/b27-21-.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 467.53 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 136930920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).