N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine

C19H24N4O4 — CID 110505616

IUPACN-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
SMILESCCCCCCOc1c(OC)cc(/C=N/Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O4/c1-3-4-5-8-11-27-19-16(23(24)25)12-15(13-17(19)26-2)14-21-22-18-9-6-7-10-20-18/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,20,22)/b21-14+
InChIKeyDSRSJUICTXQHNI-KGENOOAVSA-N
MW372.43 g/mol
LogP4.40
Rot. Bonds11

About N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine

N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine (PubChem CID 110505616) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
PubChem CID110505616
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
SMILESCCCCCCOc1c(OC)cc(/C=N/Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O4/c1-3-4-5-8-11-27-19-16(23(24)25)12-15(13-17(19)26-2)14-21-22-18-9-6-7-10-20-18/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,20,22)/b21-14+
InChIKeyDSRSJUICTXQHNI-KGENOOAVSA-N
XLogP4.40
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[(2E)-2-[(4-hexoxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110510031
3-chloro-N-[(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]aniline
CID 110840308
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876
N-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110508970
N-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110505489
6-[(2E)-2-[(4-butoxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505736
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506861
4-chloro-N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506116
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505013
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 110515301
4-fluoro-N-[(E)-(3-methoxy-5-nitro-4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516374
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 110509500

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine (CID 110505616) is N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine is CCCCCCOc1c(OC)cc(/C=N/Nc2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is DSRSJUICTXQHNI-KGENOOAVSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-4-5-8-11-27-19-16(23(24)25)12-15(13-17(19)26-2)14-21-22-18-9-6-7-10-20-18/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,20,22)/b21-14+.
What are the key properties of N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110505616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).