N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine

C23H18N4O3 — CID 3600919

IUPACN-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3cccc4ccccc34)cc2)nc1
InChIInChI=1S/C23H18N4O3/c28-27(29)20-10-13-23(24-15-20)26-25-14-17-8-11-21(12-9-17)30-16-19-6-3-5-18-4-1-2-7-22(18)19/h1-15H,16H2,(H,24,26)
InChIKeySFOWSFRAUJGEOT-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.17
Rot. Bonds7

About N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine

N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine (PubChem CID 3600919) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
PubChem CID3600919
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3cccc4ccccc34)cc2)nc1
InChIInChI=1S/C23H18N4O3/c28-27(29)20-10-13-23(24-15-20)26-25-14-17-8-11-21(12-9-17)30-16-19-6-3-5-18-4-1-2-7-22(18)19/h1-15H,16H2,(H,24,26)
InChIKeySFOWSFRAUJGEOT-UHFFFAOYSA-N
XLogP5.17
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.17
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

3-[[4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 3658608
2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 1224245
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
2-[[2-bromo-6-chloro-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 3715829
5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50854673
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137060111
N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
CID 135549675
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
[2,6-dibromo-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3645506

Frequently Asked Questions

What is the IUPAC name of N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine (CID 3600919) is N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3cccc4ccccc34)cc2)nc1.
What is the InChIKey of N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine?
The InChIKey is SFOWSFRAUJGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-27(29)20-10-13-23(24-15-20)26-25-14-17-8-11-21(12-9-17)30-16-19-6-3-5-18-4-1-2-7-22(18)19/h1-15H,16H2,(H,24,26).
What are the key properties of N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine?
N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine has a molecular weight of 398.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 3600919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).