3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide

C18H20N2O3 — CID 10380805

IUPAC3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C18H20N2O3/c1-22-15-10-9-13(12-16(15)23-14-6-2-3-7-14)18(21)20-17-8-4-5-11-19-17/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20,21)
InChIKeyVUUQDUOSMQTMAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds5

About 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide

3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 10380805) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide
PubChem CID10380805
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C18H20N2O3/c1-22-15-10-9-13(12-16(15)23-14-6-2-3-7-14)18(21)20-17-8-4-5-11-19-17/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20,21)
InChIKeyVUUQDUOSMQTMAR-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cym5181
CID 976135
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
US10155760, Example 2
CID 118420021
N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 18109412
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-2-yl)piperidin-4-yl]methyl}benzamide
CID 11443686
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide (CID 10380805) is 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide is COc1ccc(C(=O)Nc2ccccn2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is VUUQDUOSMQTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-10-9-13(12-16(15)23-14-6-2-3-7-14)18(21)20-17-8-4-5-11-19-17/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20,21).
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide?
3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 10380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).