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

C13H19N3O2 — CID 75520786

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCOC1(CNC(=O)Nc2cc(C)ccn2)CCC1
InChIInChI=1S/C13H19N3O2/c1-10-4-7-14-11(8-10)16-12(17)15-9-13(18-2)5-3-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyILYMKFSVBQJCFH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds4

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

1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 75520786) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID75520786
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCOC1(CNC(=O)Nc2cc(C)ccn2)CCC1
InChIInChI=1S/C13H19N3O2/c1-10-4-7-14-11(8-10)16-12(17)15-9-13(18-2)5-3-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyILYMKFSVBQJCFH-UHFFFAOYSA-N
XLogP2.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 128755511
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
CID 86785616
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115695376
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea (CID 75520786) is 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea is COC1(CNC(=O)Nc2cc(C)ccn2)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is ILYMKFSVBQJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-7-14-11(8-10)16-12(17)15-9-13(18-2)5-3-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 249.31 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-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75520786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).