ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate

C12H16N2O2 — CID 170795786

IUPACethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1nc(C)ccc1N
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)6-4-5-11-10(13)8-7-9(2)14-11/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyILNWDJOXXAKHBP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.94
Rot. Bonds4

About ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate

ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate (PubChem CID 170795786) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
PubChem CID170795786
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1nc(C)ccc1N
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)6-4-5-11-10(13)8-7-9(2)14-11/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyILNWDJOXXAKHBP-UHFFFAOYSA-N
XLogP1.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(6-amino-2-pyridinyl)but-3-enoate
CID 170795572
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
CID 170795623
2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
CID 169475153
methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
CID 170500518
ethyl 4-(4-sulfanylphenyl)but-3-enoate
CID 170795544
ethyl 4-(6-amino-2,3-difluorophenyl)but-3-enoate
CID 170796183
6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 4-(2-amino-4-methylphenyl)but-3-enoate
CID 170795846
ethyl 4-(2-amino-5-tert-butylphenyl)but-3-enoate
CID 170796762
ethyl 6-(4-ethoxy-4-oxobut-1-enyl)pyridine-2-carboxylate
CID 170796783

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate?
The IUPAC name of ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate (CID 170795786) is ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate.
What is the SMILES notation for ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate?
The canonical SMILES for ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate is CCOC(=O)CC=Cc1nc(C)ccc1N.
What is the InChIKey of ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate?
The InChIKey is ILNWDJOXXAKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-12(15)6-4-5-11-10(13)8-7-9(2)14-11/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate?
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate has a molecular weight of 220.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170795786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).