1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea

C13H21N3O2 — CID 111714218

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCCCC(C)(CO)NC(=O)NCc1ccccn1
InChIInChI=1S/C13H21N3O2/c1-3-7-13(2,10-17)16-12(18)15-9-11-6-4-5-8-14-11/h4-6,8,17H,3,7,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyVRGHQZMAESYKTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds6

About 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea

1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 111714218) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID111714218
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCCCC(C)(CO)NC(=O)NCc1ccccn1
InChIInChI=1S/C13H21N3O2/c1-3-7-13(2,10-17)16-12(18)15-9-11-6-4-5-8-14-11/h4-6,8,17H,3,7,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyVRGHQZMAESYKTJ-UHFFFAOYSA-N
XLogP1.43
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 151527742
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
CID 75517689
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea (CID 111714218) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea is CCCC(C)(CO)NC(=O)NCc1ccccn1.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is VRGHQZMAESYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-13(2,10-17)16-12(18)15-9-11-6-4-5-8-14-11/h4-6,8,17H,3,7,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 111714218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).