1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea

C16H25N3O2 — CID 138042025

IUPAC1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NC(C)(CO)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-9-8-14(12)18-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h8-10,13,20H,3-7,11H2,1-2H3,(H2,17,18,19,21)
InChIKeyCGVXZCMLHJEXMO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea

1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea (PubChem CID 138042025) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
PubChem CID138042025
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NC(C)(CO)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-9-8-14(12)18-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h8-10,13,20H,3-7,11H2,1-2H3,(H2,17,18,19,21)
InChIKeyCGVXZCMLHJEXMO-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea with MolForge

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Related Compounds

1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 99704157
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
CID 97331929
2-(cyclopentylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63670868
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
CID 111976343

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea (CID 138042025) is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea is Cc1cnccc1NC(=O)NC(C)(CO)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is CGVXZCMLHJEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-17-9-8-14(12)18-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h8-10,13,20H,3-7,11H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea?
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 291.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 138042025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).