1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea

C17H14N3O2- — CID 21454491

IUPAC1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N([O-])c1cccc2ccccc12
InChIInChI=1S/C17H14N3O2/c21-17(19-12-13-5-4-10-18-11-13)20(22)16-9-3-7-14-6-1-2-8-15(14)16/h1-11H,12H2,(H,19,21)/q-1
InChIKeyCXXIARGDPADWLP-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.45
Rot. Bonds3

About 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea

1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea (PubChem CID 21454491) has the molecular formula C17H14N3O2- and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
PubChem CID21454491
Molecular FormulaC17H14N3O2-
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N([O-])c1cccc2ccccc12
InChIInChI=1S/C17H14N3O2/c21-17(19-12-13-5-4-10-18-11-13)20(22)16-9-3-7-14-6-1-2-8-15(14)16/h1-11H,12H2,(H,19,21)/q-1
InChIKeyCXXIARGDPADWLP-UHFFFAOYSA-N
XLogP3.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 53416962
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
1-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 23822085
1-(benzenesulfonamido)-1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 140661162
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea (CID 21454491) is 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)N([O-])c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea?
The InChIKey is CXXIARGDPADWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N3O2/c21-17(19-12-13-5-4-10-18-11-13)20(22)16-9-3-7-14-6-1-2-8-15(14)16/h1-11H,12H2,(H,19,21)/q-1.
What are the key properties of 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea?
1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea has a molecular weight of 292.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 21454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).