N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide

C20H24N2O2 — CID 47029217

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1C
InChIInChI=1S/C20H24N2O2/c1-14-7-5-11-18(15(14)2)19(23)22-13-16-8-6-12-21-20(16)24-17-9-3-4-10-17/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMUHGJLHRKRTIMI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide (PubChem CID 47029217) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
PubChem CID47029217
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1C
InChIInChI=1S/C20H24N2O2/c1-14-7-5-11-18(15(14)2)19(23)22-13-16-8-6-12-21-20(16)24-17-9-3-4-10-17/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMUHGJLHRKRTIMI-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide (CID 47029217) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1C.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide?
The InChIKey is MUHGJLHRKRTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-5-11-18(15(14)2)19(23)22-13-16-8-6-12-21-20(16)24-17-9-3-4-10-17/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 47029217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).