ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate

C17H24N2O4 — CID 58506916

IUPACethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate
SMILESC=C(CC(=O)OCC)c1ccc(OC)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H24N2O4/c1-7-23-14(20)10-11(2)12-8-9-13(22-6)18-15(12)19-16(21)17(3,4)5/h8-9H,2,7,10H2,1,3-6H3,(H,18,19,21)
InChIKeyNZMOJNXYJJFWJR-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.04
Rot. Bonds6

About ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate

ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate (PubChem CID 58506916) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate
PubChem CID58506916
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate
SMILESC=C(CC(=O)OCC)c1ccc(OC)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H24N2O4/c1-7-23-14(20)10-11(2)12-8-9-13(22-6)18-15(12)19-16(21)17(3,4)5/h8-9H,2,7,10H2,1,3-6H3,(H,18,19,21)
InChIKeyNZMOJNXYJJFWJR-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate
CID 142787418
methyl 2-(ethoxycarbonylcarbamothioylamino)-6-methoxypyridine-3-carboxylate
CID 121002980
ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate
CID 68811995
ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3867735
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)-3-oxopropanoate
CID 59864605
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
CID 86684677
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate?
The IUPAC name of ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate (CID 58506916) is ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate.
What is the SMILES notation for ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate?
The canonical SMILES for ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate is C=C(CC(=O)OCC)c1ccc(OC)nc1NC(=O)C(C)(C)C.
What is the InChIKey of ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate?
The InChIKey is NZMOJNXYJJFWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-7-23-14(20)10-11(2)12-8-9-13(22-6)18-15(12)19-16(21)17(3,4)5/h8-9H,2,7,10H2,1,3-6H3,(H,18,19,21).
What are the key properties of ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate?
ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate has a molecular weight of 320.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate is sourced from PubChem (CID 58506916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).