N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide

C18H14N4O2 — CID 154631889

IUPACN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H14N4O2/c23-17(21-16-6-3-9-19-12-16)18(24)22-20-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,23)(H,22,24)/b20-11+
InChIKeyGRMICMOHZDYWLZ-RGVLZGJSSA-N
MW318.34 g/mol
LogP2.32
Rot. Bonds3

About N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide

N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide (PubChem CID 154631889) 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-3-yloxamide.

Molecular Properties

Compound NameN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
PubChem CID154631889
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1cccnc1
InChIInChI=1S/C18H14N4O2/c23-17(21-16-6-3-9-19-12-16)18(24)22-20-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,23)(H,22,24)/b20-11+
InChIKeyGRMICMOHZDYWLZ-RGVLZGJSSA-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'}

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Related Compounds

N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
CID 4178084
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
CID 6900209
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide
CID 166632185
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyrido[3,4-b]indol-9-ylacetamide
CID 155807459

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide?
The IUPAC name of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide (CID 154631889) is N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide is O=C(N/N=C/c1ccc2ccccc2c1)C(=O)Nc1cccnc1.
What is the InChIKey of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide?
The InChIKey is GRMICMOHZDYWLZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-16-6-3-9-19-12-16)18(24)22-20-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,23)(H,22,24)/b20-11+.
What are the key properties of N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide?
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-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-3-yloxamide is sourced from PubChem (CID 154631889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).