N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C23H26N4O3 — CID 55841812

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C23H26N4O3/c1-27-13-12-24-21(27)16-29-19-8-6-18(7-9-19)23(28)26-15-17-10-11-25-22(14-17)30-20-4-2-3-5-20/h6-14,20H,2-5,15-16H2,1H3,(H,26,28)
InChIKeyQTUFNSMWRDQCCC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.65
Rot. Bonds8

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55841812) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55841812
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C23H26N4O3/c1-27-13-12-24-21(27)16-29-19-8-6-18(7-9-19)23(28)26-15-17-10-11-25-22(14-17)30-20-4-2-3-5-20/h6-14,20H,2-5,15-16H2,1H3,(H,26,28)
InChIKeyQTUFNSMWRDQCCC-UHFFFAOYSA-N
XLogP3.65
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 47054802
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
CID 55842196
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55848814
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55841812) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is QTUFNSMWRDQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27-13-12-24-21(27)16-29-19-8-6-18(7-9-19)23(28)26-15-17-10-11-25-22(14-17)30-20-4-2-3-5-20/h6-14,20H,2-5,15-16H2,1H3,(H,26,28).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55841812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).