1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea

C15H23N3O2 — CID 99609267

IUPAC1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC[C@H](O)C2CCCCC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-9-14(17-11)18-15(20)16-10-13(19)12-7-3-2-4-8-12/h5-6,9,12-13,19H,2-4,7-8,10H2,1H3,(H2,16,17,18,20)/t13-/m0/s1
InChIKeyJGOWUUYAHBCXHL-ZDUSSCGKSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea

1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 99609267) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID99609267
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC[C@H](O)C2CCCCC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-9-14(17-11)18-15(20)16-10-13(19)12-7-3-2-4-8-12/h5-6,9,12-13,19H,2-4,7-8,10H2,1H3,(H2,16,17,18,20)/t13-/m0/s1
InChIKeyJGOWUUYAHBCXHL-ZDUSSCGKSA-N
XLogP2.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea (CID 99609267) is 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC[C@H](O)C2CCCCC2)n1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is JGOWUUYAHBCXHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-5-9-14(17-11)18-15(20)16-10-13(19)12-7-3-2-4-8-12/h5-6,9,12-13,19H,2-4,7-8,10H2,1H3,(H2,16,17,18,20)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea?
1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 99609267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).