4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide

C21H26N4O3 — CID 38348110

IUPAC4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-22-20(26)17-8-6-15(7-9-17)13-24-21(27)25-14-16-10-11-23-19(12-16)28-18-4-2-3-5-18/h6-12,18H,2-5,13-14H2,1H3,(H,22,26)(H2,24,25,27)
InChIKeyRWSLXPVLCMGFKW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.76
Rot. Bonds7

About 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide

4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide (PubChem CID 38348110) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
PubChem CID38348110
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-22-20(26)17-8-6-15(7-9-17)13-24-21(27)25-14-16-10-11-23-19(12-16)28-18-4-2-3-5-18/h6-12,18H,2-5,13-14H2,1H3,(H,22,26)(H2,24,25,27)
InChIKeyRWSLXPVLCMGFKW-UHFFFAOYSA-N
XLogP2.76
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684140
4-[[[N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874044
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821587
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
1-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 86781351
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55841812
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide (CID 38348110) is 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)NCc2ccnc(OC3CCCC3)c2)cc1.
What is the InChIKey of 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is RWSLXPVLCMGFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-20(26)17-8-6-15(7-9-17)13-24-21(27)25-14-16-10-11-23-19(12-16)28-18-4-2-3-5-18/h6-12,18H,2-5,13-14H2,1H3,(H,22,26)(H2,24,25,27).
What are the key properties of 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide?
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 38348110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).