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

C15H23N3O2 — CID 95770379

IUPAC1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H](CCO)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h4-5,8,10,12-13,19H,1-3,6-7,9,11H2,(H2,16,17,18,20)/t13-/m0/s1
InChIKeyFAVWDHOHKDWCAE-ZDUSSCGKSA-N
MW277.37 g/mol
LogP2.53
Rot. Bonds5

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

1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea (PubChem CID 95770379) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea
PubChem CID95770379
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H](CCO)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h4-5,8,10,12-13,19H,1-3,6-7,9,11H2,(H2,16,17,18,20)/t13-/m0/s1
InChIKeyFAVWDHOHKDWCAE-ZDUSSCGKSA-N
XLogP2.53
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea (CID 95770379) is 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@@H](CCO)C1CCCCC1.
What is the InChIKey of 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea?
The InChIKey is FAVWDHOHKDWCAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h4-5,8,10,12-13,19H,1-3,6-7,9,11H2,(H2,16,17,18,20)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea?
1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea has a molecular weight of 277.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 95770379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).