1-hydroxy-1-(pyridin-2-ylmethyl)urea

C7H9N3O2 — CID 10374807

IUPAC1-hydroxy-1-(pyridin-2-ylmethyl)urea
SMILESNC(=O)N(O)Cc1ccccn1
InChIInChI=1S/C7H9N3O2/c8-7(11)10(12)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H2,8,11)
InChIKeySGEHHCUPZIUNGW-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.35
Rot. Bonds2

About 1-hydroxy-1-(pyridin-2-ylmethyl)urea

1-hydroxy-1-(pyridin-2-ylmethyl)urea (PubChem CID 10374807) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-hydroxy-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(pyridin-2-ylmethyl)urea
PubChem CID10374807
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-hydroxy-1-(pyridin-2-ylmethyl)urea
SMILESNC(=O)N(O)Cc1ccccn1
InChIInChI=1S/C7H9N3O2/c8-7(11)10(12)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H2,8,11)
InChIKeySGEHHCUPZIUNGW-UHFFFAOYSA-N
XLogP0.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea
CID 54516710
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
CID 88902013
CID 88902013
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-hydroxy-1-(pyridin-2-ylmethyl)urea (CID 10374807) is 1-hydroxy-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-hydroxy-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-hydroxy-1-(pyridin-2-ylmethyl)urea is NC(=O)N(O)Cc1ccccn1.
What is the InChIKey of 1-hydroxy-1-(pyridin-2-ylmethyl)urea?
The InChIKey is SGEHHCUPZIUNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)10(12)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H2,8,11).
What are the key properties of 1-hydroxy-1-(pyridin-2-ylmethyl)urea?
1-hydroxy-1-(pyridin-2-ylmethyl)urea has a molecular weight of 167.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 10374807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).