ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate

C15H23N3O2 — CID 163815448

IUPACethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate
SMILESC=C/N=c1/c(C(=O)OCC)c(C)c(CC)c(CC)n1N
InChIInChI=1S/C15H23N3O2/c1-6-11-10(5)13(15(19)20-9-4)14(17-8-3)18(16)12(11)7-2/h8H,3,6-7,9,16H2,1-2,4-5H3/b17-14-
InChIKeyNQXZSNQMVREPDH-VKAVYKQESA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds5

About ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate

ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate (PubChem CID 163815448) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate
PubChem CID163815448
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate
SMILESC=C/N=c1/c(C(=O)OCC)c(C)c(CC)c(CC)n1N
InChIInChI=1S/C15H23N3O2/c1-6-11-10(5)13(15(19)20-9-4)14(17-8-3)18(16)12(11)7-2/h8H,3,6-7,9,16H2,1-2,4-5H3/b17-14-
InChIKeyNQXZSNQMVREPDH-VKAVYKQESA-N
XLogP1.86
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-O-ethyl 4-O-prop-2-enyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate (CID 163815448) is ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate is C=C/N=c1/c(C(=O)OCC)c(C)c(CC)c(CC)n1N.
What is the InChIKey of ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate?
The InChIKey is NQXZSNQMVREPDH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-11-10(5)13(15(19)20-9-4)14(17-8-3)18(16)12(11)7-2/h8H,3,6-7,9,16H2,1-2,4-5H3/b17-14-.
What are the key properties of ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate?
ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-ethenylimino-5,6-diethyl-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 163815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).