ethyl N-(1-pyridin-3-ylethylideneamino)carbamate

C10H13N3O2 — CID 4153346

IUPACethyl N-(1-pyridin-3-ylethylideneamino)carbamate
SMILESCCOC(=O)NN=C(C)c1cccnc1
InChIInChI=1S/C10H13N3O2/c1-3-15-10(14)13-12-8(2)9-5-4-6-11-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyKKWZIFLYWCOIIW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.55
Rot. Bonds3

About ethyl N-(1-pyridin-3-ylethylideneamino)carbamate

ethyl N-(1-pyridin-3-ylethylideneamino)carbamate (PubChem CID 4153346) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl N-(1-pyridin-3-ylethylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(1-pyridin-3-ylethylideneamino)carbamate
PubChem CID4153346
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Nameethyl N-(1-pyridin-3-ylethylideneamino)carbamate
SMILESCCOC(=O)NN=C(C)c1cccnc1
InChIInChI=1S/C10H13N3O2/c1-3-15-10(14)13-12-8(2)9-5-4-6-11-7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyKKWZIFLYWCOIIW-UHFFFAOYSA-N
XLogP1.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.55
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

[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide
CID 25237434
(2R)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 26871484
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-pyridin-3-ylethylideneamino)carbamate?
The IUPAC name of ethyl N-(1-pyridin-3-ylethylideneamino)carbamate (CID 4153346) is ethyl N-(1-pyridin-3-ylethylideneamino)carbamate.
What is the SMILES notation for ethyl N-(1-pyridin-3-ylethylideneamino)carbamate?
The canonical SMILES for ethyl N-(1-pyridin-3-ylethylideneamino)carbamate is CCOC(=O)NN=C(C)c1cccnc1.
What is the InChIKey of ethyl N-(1-pyridin-3-ylethylideneamino)carbamate?
The InChIKey is KKWZIFLYWCOIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-15-10(14)13-12-8(2)9-5-4-6-11-7-9/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(1-pyridin-3-ylethylideneamino)carbamate?
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-pyridin-3-ylethylideneamino)carbamate is sourced from PubChem (CID 4153346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).