1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea

C17H23N3O — CID 2954328

IUPAC1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N3O/c21-16(19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2,(H2,19,20,21)
InChIKeySDYABERAQCFERI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.85
Rot. Bonds3

About 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea

1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 2954328) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID2954328
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N3O/c21-16(19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2,(H2,19,20,21)
InChIKeySDYABERAQCFERI-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea (CID 2954328) is 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is SDYABERAQCFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16(19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea?
1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 285.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 2954328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).