1-(1-adamantyl)-3-pyridin-3-ylurea

C16H21N3O — CID 18101825

IUPAC1-(1-adamantyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3O/c20-15(18-14-2-1-3-17-10-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,20)
InChIKeyZSCPKWBJJLNNLZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds2

About 1-(1-adamantyl)-3-pyridin-3-ylurea

1-(1-adamantyl)-3-pyridin-3-ylurea (PubChem CID 18101825) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-pyridin-3-ylurea
PubChem CID18101825
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1-adamantyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3O/c20-15(18-14-2-1-3-17-10-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,20)
InChIKeyZSCPKWBJJLNNLZ-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.17
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-3-ylurea?
The IUPAC name of 1-(1-adamantyl)-3-pyridin-3-ylurea (CID 18101825) is 1-(1-adamantyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1-adamantyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-pyridin-3-ylurea?
The InChIKey is ZSCPKWBJJLNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15(18-14-2-1-3-17-10-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-pyridin-3-ylurea?
1-(1-adamantyl)-3-pyridin-3-ylurea has a molecular weight of 271.36 g/mol, XLogP of 3.17, 2 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-3-ylurea is sourced from PubChem (CID 18101825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).