N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine

C16H14N2O — CID 91482839

IUPACN-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine
SMILESC=C(NOC)c1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-13(18-19-2)16-10-15(11-17-12-16)9-8-14-6-4-3-5-7-14/h3-7,10-12,18H,1H2,2H3
InChIKeyUGJGPLDAGCLZRZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.60
Rot. Bonds3

About N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine

N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine (PubChem CID 91482839) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine.

Molecular Properties

Compound NameN-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine
PubChem CID91482839
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine
SMILESC=C(NOC)c1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-13(18-19-2)16-10-15(11-17-12-16)9-8-14-6-4-3-5-7-14/h3-7,10-12,18H,1H2,2H3
InChIKeyUGJGPLDAGCLZRZ-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]thiourea
CID 2822395
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 2822311
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 24952432
5-[2-(3,5-dimethoxyphenyl)ethynyl]-N-(methylidene-oxo-phenyl-λ6-sulfanyl)pyridine-3-carboxamide
CID 91091847
N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine
CID 2327646
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 87248784
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
5-(4-methoxy-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170469537
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 87248568
methyl 2-diazo-2-[3-(2-phenylethynyl)phenyl]acetate
CID 176522386

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine?
The IUPAC name of N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine (CID 91482839) is N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine.
What is the SMILES notation for N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine?
The canonical SMILES for N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine is C=C(NOC)c1cncc(C#Cc2ccccc2)c1.
What is the InChIKey of N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine?
The InChIKey is UGJGPLDAGCLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-13(18-19-2)16-10-15(11-17-12-16)9-8-14-6-4-3-5-7-14/h3-7,10-12,18H,1H2,2H3.
What are the key properties of N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine?
N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine has a molecular weight of 250.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[5-(2-phenylethynyl)-3-pyridinyl]ethenamine is sourced from PubChem (CID 91482839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).