N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide

C24H19N3O3 — CID 10222433

IUPACN-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide
SMILESCc1ccc(/C(=N\NC(=O)c2ccccc2Oc2ccccc2)c2ccccn2)o1
InChIInChI=1S/C24H19N3O3/c1-17-14-15-22(29-17)23(20-12-7-8-16-25-20)26-27-24(28)19-11-5-6-13-21(19)30-18-9-3-2-4-10-18/h2-16H,1H3,(H,27,28)/b26-23-
InChIKeyBIGIKTSVHSAJTN-RWEWTDSWSA-N
MW397.43 g/mol
LogP4.96
Rot. Bonds6

About N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide

N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide (PubChem CID 10222433) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide
PubChem CID10222433
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide
SMILESCc1ccc(/C(=N\NC(=O)c2ccccc2Oc2ccccc2)c2ccccn2)o1
InChIInChI=1S/C24H19N3O3/c1-17-14-15-22(29-17)23(20-12-7-8-16-25-20)26-27-24(28)19-11-5-6-13-21(19)30-18-9-3-2-4-10-18/h2-16H,1H3,(H,27,28)/b26-23-
InChIKeyBIGIKTSVHSAJTN-RWEWTDSWSA-N
XLogP4.96
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide?
The IUPAC name of N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide (CID 10222433) is N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide.
What is the SMILES notation for N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide?
The canonical SMILES for N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide is Cc1ccc(/C(=N\NC(=O)c2ccccc2Oc2ccccc2)c2ccccn2)o1.
What is the InChIKey of N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide?
The InChIKey is BIGIKTSVHSAJTN-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-17-14-15-22(29-17)23(20-12-7-8-16-25-20)26-27-24(28)19-11-5-6-13-21(19)30-18-9-3-2-4-10-18/h2-16H,1H3,(H,27,28)/b26-23-.
What are the key properties of N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide?
N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(5-methylfuran-2-yl)-pyridin-2-ylmethylidene]amino]-2-phenoxybenzamide is sourced from PubChem (CID 10222433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).