1-(4-cyanophenyl)-3-pyridin-2-ylurea

C13H10N4O — CID 108894633

IUPAC1-(4-cyanophenyl)-3-pyridin-2-ylurea
SMILESN#Cc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C13H10N4O/c14-9-10-4-6-11(7-5-10)16-13(18)17-12-3-1-2-8-15-12/h1-8H,(H2,15,16,17,18)
InChIKeyMLOPMVARVRLYDB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-cyanophenyl)-3-pyridin-2-ylurea

1-(4-cyanophenyl)-3-pyridin-2-ylurea (PubChem CID 108894633) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-pyridin-2-ylurea
PubChem CID108894633
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-(4-cyanophenyl)-3-pyridin-2-ylurea
SMILESN#Cc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C13H10N4O/c14-9-10-4-6-11(7-5-10)16-13(18)17-12-3-1-2-8-15-12/h1-8H,(H2,15,16,17,18)
InChIKeyMLOPMVARVRLYDB-UHFFFAOYSA-N
XLogP2.60
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
N-[4-(pyridin-2-ylcarbamoylamino)phenyl]sulfonylacetamide
CID 110492034
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-cyanophenyl)-3-pyridin-2-ylurea (CID 108894633) is 1-(4-cyanophenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-cyanophenyl)-3-pyridin-2-ylurea is N#Cc1ccc(NC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-pyridin-2-ylurea?
The InChIKey is MLOPMVARVRLYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-9-10-4-6-11(7-5-10)16-13(18)17-12-3-1-2-8-15-12/h1-8H,(H2,15,16,17,18).
What are the key properties of 1-(4-cyanophenyl)-3-pyridin-2-ylurea?
1-(4-cyanophenyl)-3-pyridin-2-ylurea has a molecular weight of 238.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 108894633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).