3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea

C20H31N3O2 — CID 112835458

IUPAC3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
SMILESCC1CCCC(N(C)C(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C20H31N3O2/c1-15-6-5-7-17(12-15)23(2)20(24)22-14-16-10-11-21-19(13-16)25-18-8-3-4-9-18/h10-11,13,15,17-18H,3-9,12,14H2,1-2H3,(H,22,24)
InChIKeyOCMMPESUZSTIQS-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.12
Rot. Bonds5

About 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea

3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea (PubChem CID 112835458) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
PubChem CID112835458
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
SMILESCC1CCCC(N(C)C(=O)NCc2ccnc(OC3CCCC3)c2)C1
InChIInChI=1S/C20H31N3O2/c1-15-6-5-7-17(12-15)23(2)20(24)22-14-16-10-11-21-19(13-16)25-18-8-3-4-9-18/h10-11,13,15,17-18H,3-9,12,14H2,1-2H3,(H,22,24)
InChIKeyOCMMPESUZSTIQS-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
CID 51082173
1-methyl-1-(3-methylcyclohexyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 112831729
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 95301519
4-[[[N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874044
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea?
The IUPAC name of 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea (CID 112835458) is 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea.
What is the SMILES notation for 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea?
The canonical SMILES for 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea is CC1CCCC(N(C)C(=O)NCc2ccnc(OC3CCCC3)c2)C1.
What is the InChIKey of 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea?
The InChIKey is OCMMPESUZSTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-6-5-7-17(12-15)23(2)20(24)22-14-16-10-11-21-19(13-16)25-18-8-3-4-9-18/h10-11,13,15,17-18H,3-9,12,14H2,1-2H3,(H,22,24).
What are the key properties of 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea?
3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea has a molecular weight of 345.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea is sourced from PubChem (CID 112835458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).