ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate

C15H17N3O3 — CID 137310569

IUPACethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate
SMILESCCOC(=O)N/C(=N\c1cc(C)cc(C)n1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-4-20-15(19)18-14(12-6-5-7-21-12)17-13-9-10(2)8-11(3)16-13/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyWMQWGVPMAIDSFR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.12
Rot. Bonds3

About ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate

ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate (PubChem CID 137310569) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate
PubChem CID137310569
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate
SMILESCCOC(=O)N/C(=N\c1cc(C)cc(C)n1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-4-20-15(19)18-14(12-6-5-7-21-12)17-13-9-10(2)8-11(3)16-13/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyWMQWGVPMAIDSFR-UHFFFAOYSA-N
XLogP3.12
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
CID 10776832
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl N'-[(2S)-butan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7439494
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate?
The IUPAC name of ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate (CID 137310569) is ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate.
What is the SMILES notation for ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate?
The canonical SMILES for ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate is CCOC(=O)N/C(=N\c1cc(C)cc(C)n1)c1ccco1.
What is the InChIKey of ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate?
The InChIKey is WMQWGVPMAIDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-20-15(19)18-14(12-6-5-7-21-12)17-13-9-10(2)8-11(3)16-13/h5-9H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate?
ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-N-(4,6-dimethyl-2-pyridinyl)-C-(furan-2-yl)carbonimidoyl]carbamate is sourced from PubChem (CID 137310569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).