[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate

C19H21NO4 — CID 25053631

IUPAC[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate
SMILESCOc1ccc(C/C=C\[C@H](C)OC(=O)c2ccccn2)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-14(24-19(21)17-9-4-5-12-20-17)7-6-8-15-10-11-16(22-2)13-18(15)23-3/h4-7,9-14H,8H2,1-3H3/b7-6-/t14-/m0/s1
InChIKeyFBMIIZZJGDBAJG-AFNCTOJWSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds7

About [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate

[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate (PubChem CID 25053631) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate
PubChem CID25053631
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate
SMILESCOc1ccc(C/C=C\[C@H](C)OC(=O)c2ccccn2)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-14(24-19(21)17-9-4-5-12-20-17)7-6-8-15-10-11-16(22-2)13-18(15)23-3/h4-7,9-14H,8H2,1-3H3/b7-6-/t14-/m0/s1
InChIKeyFBMIIZZJGDBAJG-AFNCTOJWSA-N
XLogP3.44
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E,2R)-4-(4-methylphenyl)but-3-en-2-yl] pyridine-2-carboxylate
CID 101499826
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
CID 86186012
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477368
1-aminoethyl pyridine-2-carboxylate
CID 141264689
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55984704
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
(E)-1-pyridin-2-yl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 57498470
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-2-yl-2-sulfanylpenta-2,4-dienamide
CID 143043721

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate (CID 25053631) is [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate is COc1ccc(C/C=C\[C@H](C)OC(=O)c2ccccn2)c(OC)c1.
What is the InChIKey of [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate?
The InChIKey is FBMIIZZJGDBAJG-AFNCTOJWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(24-19(21)17-9-4-5-12-20-17)7-6-8-15-10-11-16(22-2)13-18(15)23-3/h4-7,9-14H,8H2,1-3H3/b7-6-/t14-/m0/s1.
What are the key properties of [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate?
[(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-5-(2,4-dimethoxyphenyl)pent-3-en-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 25053631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).