2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione

C23H17N7O3 — CID 87259404

IUPAC2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
SMILESCn1nnnc1/C(=N\OCc1cccc(N2C(=O)c3ccccc3C2=O)n1)c1ccccc1
InChIInChI=1S/C23H17N7O3/c1-29-21(25-27-28-29)20(15-8-3-2-4-9-15)26-33-14-16-10-7-13-19(24-16)30-22(31)17-11-5-6-12-18(17)23(30)32/h2-13H,14H2,1H3/b26-20-
InChIKeyFWCOJLYFYPNNMO-QOMWVZHYSA-N
MW439.44 g/mol
LogP2.37
Rot. Bonds6

About 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione

2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione (PubChem CID 87259404) has the molecular formula C23H17N7O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
PubChem CID87259404
Molecular FormulaC23H17N7O3
Molecular Weight439.44 g/mol
Exact Mass439.14
IUPAC Name2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
SMILESCn1nnnc1/C(=N\OCc1cccc(N2C(=O)c3ccccc3C2=O)n1)c1ccccc1
InChIInChI=1S/C23H17N7O3/c1-29-21(25-27-28-29)20(15-8-3-2-4-9-15)26-33-14-16-10-7-13-19(24-16)30-22(31)17-11-5-6-12-18(17)23(30)32/h2-13H,14H2,1H3/b26-20-
InChIKeyFWCOJLYFYPNNMO-QOMWVZHYSA-N
XLogP2.37
TPSA115.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[6-[[[(3-methylsulfanylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 86653143
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
CID 86653133
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848
2-[6-[[[(4-methyl-1,3-oxazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 86650730
3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272926
1-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]pentyl carbamate
CID 151416096
5-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]pentanamide
CID 89272878
(2E)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-propoxyiminopropanamide
CID 58567422
2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272897
2-ethoxy-2-ethylsulfanyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272788
(1-ethoxycyclopropyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272899

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione (CID 87259404) is 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione is Cn1nnnc1/C(=N\OCc1cccc(N2C(=O)c3ccccc3C2=O)n1)c1ccccc1.
What is the InChIKey of 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione?
The InChIKey is FWCOJLYFYPNNMO-QOMWVZHYSA-N. The full InChI is InChI=1S/C23H17N7O3/c1-29-21(25-27-28-29)20(15-8-3-2-4-9-15)26-33-14-16-10-7-13-19(24-16)30-22(31)17-11-5-6-12-18(17)23(30)32/h2-13H,14H2,1H3/b26-20-.
What are the key properties of 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione?
2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione has a molecular weight of 439.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 87259404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).