N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide

C18H14N4O2 — CID 154631892

IUPACN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O2/c23-17(21-16-7-9-19-10-8-16)18(24)22-20-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,24)(H,19,21,23)/b20-12+
InChIKeyKGVREXFYCSSARC-UDWIEESQSA-N
MW318.34 g/mol
LogP2.32
Rot. Bonds3

About N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide

N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide (PubChem CID 154631892) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide.

Molecular Properties

Compound NameN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
PubChem CID154631892
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O2/c23-17(21-16-7-9-19-10-8-16)18(24)22-20-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,24)(H,19,21,23)/b20-12+
InChIKeyKGVREXFYCSSARC-UDWIEESQSA-N
XLogP2.32
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
CID 4178084
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide?
The IUPAC name of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide (CID 154631892) is N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide.
What is the SMILES notation for N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide?
The canonical SMILES for N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide is O=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1ccncc1.
What is the InChIKey of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide?
The InChIKey is KGVREXFYCSSARC-UDWIEESQSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-16-7-9-19-10-8-16)18(24)22-20-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,24)(H,19,21,23)/b20-12+.
What are the key properties of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide?
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide has a molecular weight of 318.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide is sourced from PubChem (CID 154631892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).