2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide

C21H17N5O2 — CID 136913658

IUPAC2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C21H17N5O2/c27-20(14-28-19-8-7-15-4-1-2-5-16(15)10-19)25-23-12-18-13-24-26-21(18)17-6-3-9-22-11-17/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+
InChIKeyPETBUQRCQYBOTG-FSJBWODESA-N
MW371.40 g/mol
LogP3.15
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide

2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide (PubChem CID 136913658) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
PubChem CID136913658
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C21H17N5O2/c27-20(14-28-19-8-7-15-4-1-2-5-16(15)10-19)25-23-12-18-13-24-26-21(18)17-6-3-9-22-11-17/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+
InChIKeyPETBUQRCQYBOTG-FSJBWODESA-N
XLogP3.15
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.15
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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Related Compounds

2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
CID 46662601
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840
2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 4176450
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1027984
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide (CID 136913658) is 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1)N/N=C/c1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is PETBUQRCQYBOTG-FSJBWODESA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(14-28-19-8-7-15-4-1-2-5-16(15)10-19)25-23-12-18-13-24-26-21(18)17-6-3-9-22-11-17/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+.
What are the key properties of 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide?
2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 136913658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).