2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide

C14H22N2O2 — CID 50972729

IUPAC2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
SMILESCCC#CCN1CC=C(CNC(=O)COC)CC1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-8-16-9-6-13(7-10-16)11-15-14(17)12-18-2/h6H,3,7-12H2,1-2H3,(H,15,17)
InChIKeyGQYFFQQDKQITFQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.79
Rot. Bonds5

About 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide

2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide (PubChem CID 50972729) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
PubChem CID50972729
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide
SMILESCCC#CCN1CC=C(CNC(=O)COC)CC1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-8-16-9-6-13(7-10-16)11-15-14(17)12-18-2/h6H,3,7-12H2,1-2H3,(H,15,17)
InChIKeyGQYFFQQDKQITFQ-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 71286421
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
CID 134406135
2-methoxy-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]acetamide
CID 143338086
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
CID 143852733
ethane;2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 155686624
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
CID 167152693
1-(4-ethynyl-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
CID 171488180
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50959580
N-[(1S)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
CID 95205314
N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
CID 95205315

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide (CID 50972729) is 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide is CCC#CCN1CC=C(CNC(=O)COC)CC1.
What is the InChIKey of 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
The InChIKey is GQYFFQQDKQITFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-5-8-16-9-6-13(7-10-16)11-15-14(17)12-18-2/h6H,3,7-12H2,1-2H3,(H,15,17).
What are the key properties of 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide?
2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pent-2-ynyl-3,6-dihydro-2H-pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 50972729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).