1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea

C20H25N3O2 — CID 97237571

IUPAC1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
SMILESO=C(NC[C@H](O)c1cccnc1)N[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C20H25N3O2/c24-18(17-11-6-12-21-13-17)14-22-20(25)23-19(16-9-4-5-10-16)15-7-2-1-3-8-15/h1-3,6-8,11-13,16,18-19,24H,4-5,9-10,14H2,(H2,22,23,25)/t18-,19+/m0/s1
InChIKeyVMHQLSYEMWPPSM-RBUKOAKNSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds6

About 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea

1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea (PubChem CID 97237571) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
PubChem CID97237571
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
SMILESO=C(NC[C@H](O)c1cccnc1)N[C@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C20H25N3O2/c24-18(17-11-6-12-21-13-17)14-22-20(25)23-19(16-9-4-5-10-16)15-7-2-1-3-8-15/h1-3,6-8,11-13,16,18-19,24H,4-5,9-10,14H2,(H2,22,23,25)/t18-,19+/m0/s1
InChIKeyVMHQLSYEMWPPSM-RBUKOAKNSA-N
XLogP3.35
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 52501297
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea (CID 97237571) is 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea is O=C(NC[C@H](O)c1cccnc1)N[C@H](c1ccccc1)C1CCCC1.
What is the InChIKey of 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea?
The InChIKey is VMHQLSYEMWPPSM-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-18(17-11-6-12-21-13-17)14-22-20(25)23-19(16-9-4-5-10-16)15-7-2-1-3-8-15/h1-3,6-8,11-13,16,18-19,24H,4-5,9-10,14H2,(H2,22,23,25)/t18-,19+/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea?
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 97237571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).