2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide

C24H18N4O4 — CID 1224245

IUPAC2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C24H18N4O4/c29-23(14-19-6-3-5-18-4-1-2-7-22(18)19)27-26-15-17-8-11-21(12-9-17)32-24-13-10-20(16-25-24)28(30)31/h1-13,15-16H,14H2,(H,27,29)
InChIKeyFXGCPSBPZWYWSW-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.63
Rot. Bonds7

About 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide

2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide (PubChem CID 1224245) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
PubChem CID1224245
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C24H18N4O4/c29-23(14-19-6-3-5-18-4-1-2-7-22(18)19)27-26-15-17-8-11-21(12-9-17)32-24-13-10-20(16-25-24)28(30)31/h1-13,15-16H,14H2,(H,27,29)
InChIKeyFXGCPSBPZWYWSW-UHFFFAOYSA-N
XLogP4.63
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
CID 7341048
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
CID 3600919
3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
CID 3123654
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 126199740
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide (CID 1224245) is 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide is O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide?
The InChIKey is FXGCPSBPZWYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-23(14-19-6-3-5-18-4-1-2-7-22(18)19)27-26-15-17-8-11-21(12-9-17)32-24-13-10-20(16-25-24)28(30)31/h1-13,15-16H,14H2,(H,27,29).
What are the key properties of 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide?
2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide has a molecular weight of 426.43 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 1224245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).