N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

C24H22N2O2 — CID 42480684

IUPACN-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1)C1=CCCC1
InChIInChI=1S/C24H22N2O2/c27-24(16-4-1-2-5-16)26-15-20-13-22-21-9-7-17(19-6-3-11-25-14-19)12-18(21)8-10-23(22)28-20/h3-4,6-12,14,20H,1-2,5,13,15H2,(H,26,27)/t20-/m0/s1
InChIKeyDBCDQOQTHJUOBN-FQEVSTJZSA-N
MW370.45 g/mol
LogP4.43
Rot. Bonds4

About N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 42480684) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
PubChem CID42480684
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1)C1=CCCC1
InChIInChI=1S/C24H22N2O2/c27-24(16-4-1-2-5-16)26-15-20-13-22-21-9-7-17(19-6-3-11-25-14-19)12-18(21)8-10-23(22)28-20/h3-4,6-12,14,20H,1-2,5,13,15H2,(H,26,27)/t20-/m0/s1
InChIKeyDBCDQOQTHJUOBN-FQEVSTJZSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide with MolForge

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Related Compounds

(1R,2R,4R)-N-[(7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 126466074
N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26279242
6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 126463805
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 42407346
N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26278009
N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480603
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
CID 26278177
(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 126463069
N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide
CID 123777619
N-[[7-(5-acetylthiophen-2-yl)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]-2-(dimethylamino)acetamide
CID 45170130
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 45172376
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (CID 42480684) is N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is O=C(NC[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1)C1=CCCC1.
What is the InChIKey of N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is DBCDQOQTHJUOBN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-24(16-4-1-2-5-16)26-15-20-13-22-21-9-7-17(19-6-3-11-25-14-19)12-18(21)8-10-23(22)28-20/h3-4,6-12,14,20H,1-2,5,13,15H2,(H,26,27)/t20-/m0/s1.
What are the key properties of N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 42480684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).