methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate

C16H19NO4 — CID 66682777

IUPACmethyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)/C=C/C2CCCC2)nc1OC
InChIInChI=1S/C16H19NO4/c1-20-15-12(16(19)21-2)8-9-13(17-15)14(18)10-7-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3/b10-7+
InChIKeyHXNMQGHIKOALDK-JXMROGBWSA-N
MW289.33 g/mol
LogP2.81
Rot. Bonds5

About methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate

methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate (PubChem CID 66682777) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate
PubChem CID66682777
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)/C=C/C2CCCC2)nc1OC
InChIInChI=1S/C16H19NO4/c1-20-15-12(16(19)21-2)8-9-13(17-15)14(18)10-7-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3/b10-7+
InChIKeyHXNMQGHIKOALDK-JXMROGBWSA-N
XLogP2.81
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[cyclohexyl(methyl)amino]-2-methoxypyridine-3-carboxylate
CID 133487931
methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133491968
1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058782
methyl 6-[(2-hydroxy-1-methylcyclohexyl)methylamino]-2-methoxypyridine-3-carboxylate
CID 133492515
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
CID 133489109
methyl 6-cyano-2-methoxypyridine-3-carboxylate
CID 131010870
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate (CID 66682777) is methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(C(=O)/C=C/C2CCCC2)nc1OC.
What is the InChIKey of methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate?
The InChIKey is HXNMQGHIKOALDK-JXMROGBWSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-15-12(16(19)21-2)8-9-13(17-15)14(18)10-7-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3/b10-7+.
What are the key properties of methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate?
methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 66682777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).