[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate

C15H14N2O2 — CID 10106353

IUPAC[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
SMILESCC/C(=N\OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-2-14(12-7-4-3-5-8-12)17-19-15(18)13-9-6-10-16-11-13/h3-11H,2H2,1H3/b17-14+
InChIKeyDFWCPNGXCXLZTK-SAPNQHFASA-N
MW254.29 g/mol
LogP3.05
Rot. Bonds4

About [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate

[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate (PubChem CID 10106353) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
PubChem CID10106353
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
SMILESCC/C(=N\OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-2-14(12-7-4-3-5-8-12)17-19-15(18)13-9-6-10-16-11-13/h3-11H,2H2,1H3/b17-14+
InChIKeyDFWCPNGXCXLZTK-SAPNQHFASA-N
XLogP3.05
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193
tert-butyl-(1-pyridin-3-ylpropylideneamino)carbamic acid
CID 88517139
[(3,3-dimethyl-1-pyridin-3-ylbutan-2-ylidene)amino] benzoate
CID 138858134
(111C)methyl pyridine-3-carboxylate
CID 11309537
ethyl pyridine-3-carboperoxoate
CID 143721352
[[amino(pyridin-3-yl)methylidene]amino] 2-phenylsulfanylacetate
CID 2944744
(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 23724221

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate?
The IUPAC name of [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate (CID 10106353) is [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate.
What is the SMILES notation for [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate?
The canonical SMILES for [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate is CC/C(=N\OC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate?
The InChIKey is DFWCPNGXCXLZTK-SAPNQHFASA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-14(12-7-4-3-5-8-12)17-19-15(18)13-9-6-10-16-11-13/h3-11H,2H2,1H3/b17-14+.
What are the key properties of [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate?
[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylpropylideneamino] pyridine-3-carboxylate is sourced from PubChem (CID 10106353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).