N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide

C22H20N2O2 — CID 155967045

IUPACN-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
SMILESO=C(NCCc1ccc2c(c1)COC2)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H20N2O2/c25-22(19-5-3-17(4-6-19)18-8-10-23-11-9-18)24-12-7-16-1-2-20-14-26-15-21(20)13-16/h1-6,8-11,13H,7,12,14-15H2,(H,24,25)
InChIKeyYHCDKPFCDLZCFE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide

N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 155967045) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID155967045
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
SMILESO=C(NCCc1ccc2c(c1)COC2)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H20N2O2/c25-22(19-5-3-17(4-6-19)18-8-10-23-11-9-18)24-12-7-16-1-2-20-14-26-15-21(20)13-16/h1-6,8-11,13H,7,12,14-15H2,(H,24,25)
InChIKeyYHCDKPFCDLZCFE-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Netarsudil
CID 66599893
S9947
CID 656730
Sovesudil
CID 68245749
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
ROCK inhibitor-2
CID 51003130
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 3,5-dimethylbenzoate
CID 70833120
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate
CID 71282961
4-[({[1,3-dioxo-2-(3-pyridinylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)methyl]benzoic acid
CID 1026436
(S)-2'-(alpha-Methylbenzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)-ethylamide
CID 9847973
[6,6''-Dimethyl-2''-(2-pyridin-2-yl-ethylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11827109
3'',4''-Dimethyl-biphenyl-4-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 14570086

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide (CID 155967045) is N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide is O=C(NCCc1ccc2c(c1)COC2)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is YHCDKPFCDLZCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22(19-5-3-17(4-6-19)18-8-10-23-11-9-18)24-12-7-16-1-2-20-14-26-15-21(20)13-16/h1-6,8-11,13H,7,12,14-15H2,(H,24,25).
What are the key properties of N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide?
N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 155967045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).