1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea

C16H22N4O — CID 62901081

IUPAC1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
SMILESNc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H22N4O/c17-14-2-1-13(9-18-14)19-15(21)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H2,17,18)(H2,19,20,21)
InChIKeyNJVKXKLFFJGHME-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds2

About 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea

1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea (PubChem CID 62901081) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
PubChem CID62901081
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
SMILESNc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H22N4O/c17-14-2-1-13(9-18-14)19-15(21)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H2,17,18)(H2,19,20,21)
InChIKeyNJVKXKLFFJGHME-UHFFFAOYSA-N
XLogP2.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea (CID 62901081) is 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea is Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea?
The InChIKey is NJVKXKLFFJGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-14-2-1-13(9-18-14)19-15(21)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H2,17,18)(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea?
1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea has a molecular weight of 286.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea is sourced from PubChem (CID 62901081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).