N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide

C22H24N2O2 — CID 45237594

IUPACN-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(-c2cccc3c2OC(CNC(=O)C2CC=CCC2)C3)nc1
InChIInChI=1S/C22H24N2O2/c1-15-10-11-20(23-13-15)19-9-5-8-17-12-18(26-21(17)19)14-24-22(25)16-6-3-2-4-7-16/h2-3,5,8-11,13,16,18H,4,6-7,12,14H2,1H3,(H,24,25)
InChIKeyZHAKVTRJLUBCES-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.83
Rot. Bonds4

About N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide

N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 45237594) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID45237594
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(-c2cccc3c2OC(CNC(=O)C2CC=CCC2)C3)nc1
InChIInChI=1S/C22H24N2O2/c1-15-10-11-20(23-13-15)19-9-5-8-17-12-18(26-21(17)19)14-24-22(25)16-6-3-2-4-7-16/h2-3,5,8-11,13,16,18H,4,6-7,12,14H2,1H3,(H,24,25)
InChIKeyZHAKVTRJLUBCES-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 26338468
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708
N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 125160333
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
methyl 6-[2-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate
CID 45221657
N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 42891852
(3S)-N-[[(2S)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidine-3-carboxamide
CID 42371342
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
CID 45165954

Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 45237594) is N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide is Cc1ccc(-c2cccc3c2OC(CNC(=O)C2CC=CCC2)C3)nc1.
What is the InChIKey of N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZHAKVTRJLUBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-10-11-20(23-13-15)19-9-5-8-17-12-18(26-21(17)19)14-24-22(25)16-6-3-2-4-7-16/h2-3,5,8-11,13,16,18H,4,6-7,12,14H2,1H3,(H,24,25).
What are the key properties of N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 45237594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).