ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate

C15H15N3O2 — CID 6022033

IUPACethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15N3O2/c1-2-20-15(19)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-11H,2H2,1H3,(H,18,19)/b17-14-
InChIKeyVUPNXJJYQMCCJS-VKAVYKQESA-N
MW269.30 g/mol
LogP2.58
Rot. Bonds4

About ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate

ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate (PubChem CID 6022033) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
PubChem CID6022033
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Nameethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15N3O2/c1-2-20-15(19)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-11H,2H2,1H3,(H,18,19)/b17-14-
InChIKeyVUPNXJJYQMCCJS-VKAVYKQESA-N
XLogP2.58
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
ethyl N-[(Z)-[phenyl(2H-triazol-4-yl)methylidene]amino]carbamate
CID 135603518
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
bis(N'-ethyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]carbamimidothioate);iron(2+)
CID 16749582
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3534391
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate?
The IUPAC name of ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate (CID 6022033) is ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate is CCOC(=O)N/N=C(/c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate?
The InChIKey is VUPNXJJYQMCCJS-VKAVYKQESA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-20-15(19)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-11H,2H2,1H3,(H,18,19)/b17-14-.
What are the key properties of ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate?
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate has a molecular weight of 269.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate is sourced from PubChem (CID 6022033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).