[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate

C15H15N3O2 — CID 5348619

IUPAC[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
SMILESN/C(=N\OC(=O)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H15N3O2/c16-15(13-7-4-10-17-11-13)18-20-14(19)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,16,18)
InChIKeyZEGMGFAQFOIQFM-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.88
Rot. Bonds5

About [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate

[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate (PubChem CID 5348619) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
PubChem CID5348619
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
SMILESN/C(=N\OC(=O)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H15N3O2/c16-15(13-7-4-10-17-11-13)18-20-14(19)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,16,18)
InChIKeyZEGMGFAQFOIQFM-UHFFFAOYSA-N
XLogP1.88
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[[amino(pyridin-3-yl)methylidene]amino] 2-phenylsulfanylacetate
CID 2944744
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
[[amino(pyridin-3-yl)methylidene]amino] 2-(2-nitrophenyl)acetate
CID 2935904
2-phenylacetamide;3-phenylpropanamide;pyridine-3-carboxamide
CID 69392633
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854
[[amino(pyridin-2-yl)methylidene]amino] 4-phenylbutanoate
CID 2234799
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
CID 43915241
N'-methoxypyridine-3-carboximidamide
CID 82467799
[[amino(pyridin-3-yl)methylidene]amino] 4-fluorobenzoate
CID 2877109
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2915752

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate?
The IUPAC name of [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate (CID 5348619) is [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate.
What is the SMILES notation for [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate?
The canonical SMILES for [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate is N/C(=N\OC(=O)CCc1ccccc1)c1cccnc1.
What is the InChIKey of [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate?
The InChIKey is ZEGMGFAQFOIQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-15(13-7-4-10-17-11-13)18-20-14(19)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,16,18).
What are the key properties of [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate?
[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate has a molecular weight of 269.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate is sourced from PubChem (CID 5348619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).