2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C17H18N4O3 — CID 6882598

IUPAC2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C17H18N4O3/c1-13-4-2-6-15(8-13)24-12-17(23)19-11-16(22)21-20-10-14-5-3-7-18-9-14/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKeyQSSPFFYWPSQDOI-KEBDBYFISA-N
MW326.36 g/mol
LogP1.04
Rot. Bonds7

About 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6882598) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6882598
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C17H18N4O3/c1-13-4-2-6-15(8-13)24-12-17(23)19-11-16(22)21-20-10-14-5-3-7-18-9-14/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKeyQSSPFFYWPSQDOI-KEBDBYFISA-N
XLogP1.04
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
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 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6882598) is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cccnc2)c1.
What is the InChIKey of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is QSSPFFYWPSQDOI-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18N4O3/c1-13-4-2-6-15(8-13)24-12-17(23)19-11-16(22)21-20-10-14-5-3-7-18-9-14/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+.
What are the key properties of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6882598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).