3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea

C15H23N3O2 — CID 86793408

IUPAC3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCc1cc(C)nc(NC(=O)N(C)CC2(O)CCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(2)16-13(9-11)17-14(19)18(3)10-15(20)6-4-5-7-15/h8-9,20H,4-7,10H2,1-3H3,(H,16,17,19)
InChIKeyJCTGEOWPIKBRRB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.47
Rot. Bonds3

About 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea

3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 86793408) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID86793408
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCc1cc(C)nc(NC(=O)N(C)CC2(O)CCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(2)16-13(9-11)17-14(19)18(3)10-15(20)6-4-5-7-15/h8-9,20H,4-7,10H2,1-3H3,(H,16,17,19)
InChIKeyJCTGEOWPIKBRRB-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea (CID 86793408) is 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea is Cc1cc(C)nc(NC(=O)N(C)CC2(O)CCCC2)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is JCTGEOWPIKBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-12(2)16-13(9-11)17-14(19)18(3)10-15(20)6-4-5-7-15/h8-9,20H,4-7,10H2,1-3H3,(H,16,17,19).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea?
3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 277.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 86793408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).