3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea

C18H29N3O2 — CID 126788556

IUPAC3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
SMILESCOc1c(C)cnc(CN(C)C(=O)NC2CCCC2(C)C)c1C
InChIInChI=1S/C18H29N3O2/c1-12-10-19-14(13(2)16(12)23-6)11-21(5)17(22)20-15-8-7-9-18(15,3)4/h10,15H,7-9,11H2,1-6H3,(H,20,22)
InChIKeyPHFUZWVRJYNQSO-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.43
Rot. Bonds4

About 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea

3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea (PubChem CID 126788556) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
PubChem CID126788556
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
SMILESCOc1c(C)cnc(CN(C)C(=O)NC2CCCC2(C)C)c1C
InChIInChI=1S/C18H29N3O2/c1-12-10-19-14(13(2)16(12)23-6)11-21(5)17(22)20-15-8-7-9-18(15,3)4/h10,15H,7-9,11H2,1-6H3,(H,20,22)
InChIKeyPHFUZWVRJYNQSO-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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

3-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
CID 71881863
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 94839941
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2R)-oxolan-2-yl]propanamide
CID 94820014
3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea
CID 71882269
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
[1-(2,2-dimethylcyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 107193645
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129424024
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 118793922
(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 97131628

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea?
The IUPAC name of 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea (CID 126788556) is 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea?
The canonical SMILES for 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea is COc1c(C)cnc(CN(C)C(=O)NC2CCCC2(C)C)c1C.
What is the InChIKey of 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea?
The InChIKey is PHFUZWVRJYNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12-10-19-14(13(2)16(12)23-6)11-21(5)17(22)20-15-8-7-9-18(15,3)4/h10,15H,7-9,11H2,1-6H3,(H,20,22).
What are the key properties of 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea?
3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea has a molecular weight of 319.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylurea is sourced from PubChem (CID 126788556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).