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

C15H23N3O2 — CID 109399173

IUPAC1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-11-10-16-8-6-12(11)7-9-17-15(20)18-13-4-2-3-5-14(13)19/h6,8,10,13-14,19H,2-5,7,9H2,1H3,(H2,17,18,20)
InChIKeyLFWMXDRXNWVHBO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.54
Rot. Bonds4

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

1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 109399173) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID109399173
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-11-10-16-8-6-12(11)7-9-17-15(20)18-13-4-2-3-5-14(13)19/h6,8,10,13-14,19H,2-5,7,9H2,1H3,(H2,17,18,20)
InChIKeyLFWMXDRXNWVHBO-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242744
1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 126815459
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-cyclohexyl-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400690
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
CID 99858558
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114701381

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 109399173) is 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is LFWMXDRXNWVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-16-8-6-12(11)7-9-17-15(20)18-13-4-2-3-5-14(13)19/h6,8,10,13-14,19H,2-5,7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 109399173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).