N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide

C21H26N2O3 — CID 55842196

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-2-12-25-19-9-5-6-17(14-19)21(24)23-15-16-10-11-22-20(13-16)26-18-7-3-4-8-18/h5-6,9-11,13-14,18H,2-4,7-8,12,15H2,1H3,(H,23,24)
InChIKeyLJMGCHKSQABLSU-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.12
Rot. Bonds8

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide (PubChem CID 55842196) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
PubChem CID55842196
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-2-12-25-19-9-5-6-17(14-19)21(24)23-15-16-10-11-22-20(13-16)26-18-7-3-4-8-18/h5-6,9-11,13-14,18H,2-4,7-8,12,15H2,1H3,(H,23,24)
InChIKeyLJMGCHKSQABLSU-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]benzamide
CID 55658702
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821587
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide (CID 55842196) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide?
The InChIKey is LJMGCHKSQABLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-12-25-19-9-5-6-17(14-19)21(24)23-15-16-10-11-22-20(13-16)26-18-7-3-4-8-18/h5-6,9-11,13-14,18H,2-4,7-8,12,15H2,1H3,(H,23,24).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide is sourced from PubChem (CID 55842196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).