3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

C21H27N3O3 — CID 55795149

IUPAC3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2cccnc2OC2CCCC2)cc1
InChIInChI=1S/C21H27N3O3/c1-24(15-16-9-11-18(26-2)12-10-16)21(25)23-14-17-6-5-13-22-20(17)27-19-7-3-4-8-19/h5-6,9-13,19H,3-4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyIDCMLOMMLBXKTJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.75
Rot. Bonds7

About 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 55795149) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID55795149
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2cccnc2OC2CCCC2)cc1
InChIInChI=1S/C21H27N3O3/c1-24(15-16-9-11-18(26-2)12-10-16)21(25)23-14-17-6-5-13-22-20(17)27-19-7-3-4-8-19/h5-6,9-13,19H,3-4,7-8,14-15H2,1-2H3,(H,23,25)
InChIKeyIDCMLOMMLBXKTJ-UHFFFAOYSA-N
XLogP3.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 55794546
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
CID 166217164
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704797
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421734
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 55795149) is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)NCc2cccnc2OC2CCCC2)cc1.
What is the InChIKey of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is IDCMLOMMLBXKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-24(15-16-9-11-18(26-2)12-10-16)21(25)23-14-17-6-5-13-22-20(17)27-19-7-3-4-8-19/h5-6,9-13,19H,3-4,7-8,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 369.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 55795149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).