1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea

C18H25N3O — CID 108870288

IUPAC1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O/c22-17(20-11-13-2-1-3-19-10-13)21-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h1-3,10,14-16H,4-9,11-12H2,(H2,20,21,22)
InChIKeyZEVIJBMLMJIFGD-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea

1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 108870288) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID108870288
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O/c22-17(20-11-13-2-1-3-19-10-13)21-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h1-3,10,14-16H,4-9,11-12H2,(H2,20,21,22)
InChIKeyZEVIJBMLMJIFGD-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea (CID 108870288) is 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ZEVIJBMLMJIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-17(20-11-13-2-1-3-19-10-13)21-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h1-3,10,14-16H,4-9,11-12H2,(H2,20,21,22).
What are the key properties of 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea?
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 299.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 108870288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).