N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide

C20H22N2O2 — CID 26345598

IUPACN-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1
InChIInChI=1S/C20H22N2O2/c1-3-4-10-18(23)22-13-16-12-15-8-5-9-17(20(15)24-16)19-14(2)7-6-11-21-19/h3,5-9,11,16H,1,4,10,12-13H2,2H3,(H,22,23)/t16-/m0/s1
InChIKeyGXUSCAXTIRIFJE-INIZCTEOSA-N
MW322.41 g/mol
LogP3.44
Rot. Bonds6

About N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide

N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide (PubChem CID 26345598) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
PubChem CID26345598
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1
InChIInChI=1S/C20H22N2O2/c1-3-4-10-18(23)22-13-16-12-15-8-5-9-17(20(15)24-16)19-14(2)7-6-11-21-19/h3,5-9,11,16H,1,4,10,12-13H2,2H3,(H,22,23)/t16-/m0/s1
InChIKeyGXUSCAXTIRIFJE-INIZCTEOSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 45242894
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
CID 45167343
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pent-4-enamide
CID 126467343
3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42340752

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide?
The IUPAC name of N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide (CID 26345598) is N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide.
What is the SMILES notation for N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide?
The canonical SMILES for N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide is C=CCCC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1.
What is the InChIKey of N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide?
The InChIKey is GXUSCAXTIRIFJE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-10-18(23)22-13-16-12-15-8-5-9-17(20(15)24-16)19-14(2)7-6-11-21-19/h3,5-9,11,16H,1,4,10,12-13H2,2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide?
N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide is sourced from PubChem (CID 26345598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).