[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone

C22H21N3O4 — CID 58826897

IUPAC[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
SMILESO=C(c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O)C1CCOCC1
InChIInChI=1S/C22H21N3O4/c26-21(13-6-9-28-10-7-13)22-20(17-5-8-23-12-19(17)29-22)24-15-2-3-16-14(11-15)1-4-18(16)25-27/h2-3,5,8,11-13,24,27H,1,4,6-7,9-10H2/b25-18+
InChIKeyMLWJERPXPHBKFW-XIEYBQDHSA-N
MW391.43 g/mol
LogP4.31
Rot. Bonds4

About [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone

[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone (PubChem CID 58826897) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
PubChem CID58826897
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
SMILESO=C(c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O)C1CCOCC1
InChIInChI=1S/C22H21N3O4/c26-21(13-6-9-28-10-7-13)22-20(17-5-8-23-12-19(17)29-22)24-15-2-3-16-14(11-15)1-4-18(16)25-27/h2-3,5,8,11-13,24,27H,1,4,6-7,9-10H2/b25-18+
InChIKeyMLWJERPXPHBKFW-XIEYBQDHSA-N
XLogP4.31
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone (CID 58826897) is [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone is O=C(c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O)C1CCOCC1.
What is the InChIKey of [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone?
The InChIKey is MLWJERPXPHBKFW-XIEYBQDHSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-21(13-6-9-28-10-7-13)22-20(17-5-8-23-12-19(17)29-22)24-15-2-3-16-14(11-15)1-4-18(16)25-27/h2-3,5,8,11-13,24,27H,1,4,6-7,9-10H2/b25-18+.
What are the key properties of [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone?
[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone has a molecular weight of 391.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 58826897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).