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

C18H20N2O3 — CID 10041212

IUPAC3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C18H20N2O3/c1-22-16-9-8-13(11-17(16)23-15-6-2-3-7-15)18(21)20-14-5-4-10-19-12-14/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyLBTDIDFOXMCYQG-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds5

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

3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 10041212) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide
PubChem CID10041212
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C18H20N2O3/c1-22-16-9-8-13(11-17(16)23-15-6-2-3-7-15)18(21)20-14-5-4-10-19-12-14/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyLBTDIDFOXMCYQG-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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide (CID 10041212) is 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide is COc1ccc(C(=O)Nc2cccnc2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is LBTDIDFOXMCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-9-8-13(11-17(16)23-15-6-2-3-7-15)18(21)20-14-5-4-10-19-12-14/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-pyridin-3-ylbenzamide?
3-cyclopentyloxy-4-methoxy-N-pyridin-3-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-3-ylbenzamide is sourced from PubChem (CID 10041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).