1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea

C15H23N3O2 — CID 96520014

IUPAC1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea
SMILESCO[C@]1(C)C[C@@H](NC(=O)NCc2cccnc2)C1(C)C
InChIInChI=1S/C15H23N3O2/c1-14(2)12(8-15(14,3)20-4)18-13(19)17-10-11-6-5-7-16-9-11/h5-7,9,12H,8,10H2,1-4H3,(H2,17,18,19)/t12-,15-/m1/s1
InChIKeyWWBMNRATGWZYDQ-IUODEOHRSA-N
MW277.37 g/mol
LogP2.08
Rot. Bonds4

About 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea

1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 96520014) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID96520014
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea
SMILESCO[C@]1(C)C[C@@H](NC(=O)NCc2cccnc2)C1(C)C
InChIInChI=1S/C15H23N3O2/c1-14(2)12(8-15(14,3)20-4)18-13(19)17-10-11-6-5-7-16-9-11/h5-7,9,12H,8,10H2,1-4H3,(H2,17,18,19)/t12-,15-/m1/s1
InChIKeyWWBMNRATGWZYDQ-IUODEOHRSA-N
XLogP2.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 95931426
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 95936437
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 80588086
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
CID 108911674
2-(3-methoxy-2-pyridinyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 129432564
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 97006096

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea (CID 96520014) is 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea is CO[C@]1(C)C[C@@H](NC(=O)NCc2cccnc2)C1(C)C.
What is the InChIKey of 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WWBMNRATGWZYDQ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)12(8-15(14,3)20-4)18-13(19)17-10-11-6-5-7-16-9-11/h5-7,9,12H,8,10H2,1-4H3,(H2,17,18,19)/t12-,15-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea?
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 96520014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).