N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide

C22H26N2O3 — CID 126770794

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C22H26N2O3/c25-21(8-5-7-18-6-1-4-13-23-18)24-22(11-2-3-12-22)17-9-10-19-20(16-17)27-15-14-26-19/h1,4,6,9-10,13,16H,2-3,5,7-8,11-12,14-15H2,(H,24,25)
InChIKeyJTPTZRFZDROAJZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.76
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide (PubChem CID 126770794) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
PubChem CID126770794
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C22H26N2O3/c25-21(8-5-7-18-6-1-4-13-23-18)24-22(11-2-3-12-22)17-9-10-19-20(16-17)27-15-14-26-19/h1,4,6,9-10,13,16H,2-3,5,7-8,11-12,14-15H2,(H,24,25)
InChIKeyJTPTZRFZDROAJZ-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
CID 41479313
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(pyridin-2-ylmethyl)urea
CID 113215953
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
CID 56583238
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-(1-phenylcyclopentyl)-2-pyridin-2-ylacetamide
CID 110468250
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24557365
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 25474083
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide (CID 126770794) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The InChIKey is JTPTZRFZDROAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(8-5-7-18-6-1-4-13-23-18)24-22(11-2-3-12-22)17-9-10-19-20(16-17)27-15-14-26-19/h1,4,6,9-10,13,16H,2-3,5,7-8,11-12,14-15H2,(H,24,25).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 126770794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).