1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea

C20H16N4O2 — CID 58659449

IUPAC1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1
InChIInChI=1S/C20H16N4O2/c1-14-2-4-15(5-3-14)23-20(25)24-16-6-8-18(9-7-16)26-19-10-11-22-17(12-19)13-21/h2-12H,1H3,(H2,23,24,25)
InChIKeyJMUOBCJUDNSRET-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.70
Rot. Bonds4

About 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea

1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea (PubChem CID 58659449) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
PubChem CID58659449
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1
InChIInChI=1S/C20H16N4O2/c1-14-2-4-15(5-3-14)23-20(25)24-16-6-8-18(9-7-16)26-19-10-11-22-17(12-19)13-21/h2-12H,1H3,(H2,23,24,25)
InChIKeyJMUOBCJUDNSRET-UHFFFAOYSA-N
XLogP4.70
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 10092959
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
CID 166227041
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154861633
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
CID 58674563
1-(1,3-benzothiazol-5-yl)-3-[4-[(2-cyano-4-pyridinyl)oxy]-2-nitrosophenyl]urea
CID 89173105
1-[4-[(2-cyano-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-3-(1-methylindazol-5-yl)urea
CID 10049516
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea (CID 58659449) is 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1.
What is the InChIKey of 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is JMUOBCJUDNSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-2-4-15(5-3-14)23-20(25)24-16-6-8-18(9-7-16)26-19-10-11-22-17(12-19)13-21/h2-12H,1H3,(H2,23,24,25).
What are the key properties of 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea?
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 344.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 58659449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).