1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea

C17H27N3O2 — CID 99831815

IUPAC1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea
SMILESC[C@@](O)(CNC(=O)NCCc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-17(22,15-7-3-2-4-8-15)13-20-16(21)19-11-9-14-6-5-10-18-12-14/h5-6,10,12,15,22H,2-4,7-9,11,13H2,1H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyFVIXTYHQVIZHKF-QGZVFWFLSA-N
MW305.42 g/mol
LogP2.25
Rot. Bonds6

About 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea

1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 99831815) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID99831815
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea
SMILESC[C@@](O)(CNC(=O)NCCc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-17(22,15-7-3-2-4-8-15)13-20-16(21)19-11-9-14-6-5-10-18-12-14/h5-6,10,12,15,22H,2-4,7-9,11,13H2,1H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyFVIXTYHQVIZHKF-QGZVFWFLSA-N
XLogP2.25
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
CID 114795036
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-ethyl-2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]butanoic acid
CID 115430903
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
3-[(2-cyclohexyl-2-hydroxypropyl)carbamoylamino]propanoic acid
CID 122018389
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 65266580
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea (CID 99831815) is 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea is C[C@@](O)(CNC(=O)NCCc1cccnc1)C1CCCCC1.
What is the InChIKey of 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is FVIXTYHQVIZHKF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(22,15-7-3-2-4-8-15)13-20-16(21)19-11-9-14-6-5-10-18-12-14/h5-6,10,12,15,22H,2-4,7-9,11,13H2,1H3,(H2,19,20,21)/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea?
1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 99831815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).