ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate

C9H11N3O2 — CID 5407780

IUPACethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccnc1
InChIInChI=1S/C9H11N3O2/c1-2-14-9(13)12-11-7-8-4-3-5-10-6-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-
InChIKeyIBTLYWKYCUYJSG-XFFZJAGNSA-N
MW193.21 g/mol
LogP1.16
Rot. Bonds3

About ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate

ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate (PubChem CID 5407780) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
PubChem CID5407780
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccnc1
InChIInChI=1S/C9H11N3O2/c1-2-14-9(13)12-11-7-8-4-3-5-10-6-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-
InChIKeyIBTLYWKYCUYJSG-XFFZJAGNSA-N
XLogP1.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.16
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

ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
CID 172842868
1-propylsulfanyl-3-[(E)-pyridin-3-ylmethylideneamino]urea
CID 20845570
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate (CID 5407780) is ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate is CCOC(=O)N/N=C\c1cccnc1.
What is the InChIKey of ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate?
The InChIKey is IBTLYWKYCUYJSG-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-14-9(13)12-11-7-8-4-3-5-10-6-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-.
What are the key properties of ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate?
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate has a molecular weight of 193.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate is sourced from PubChem (CID 5407780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).