1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea

C22H19FN4O2 — CID 78895874

IUPAC1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1C#N)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C22H19FN4O2/c1-15(26-22(28)27-21-9-6-19(23)11-18(21)12-24)17-4-7-20(8-5-17)29-14-16-3-2-10-25-13-16/h2-11,13,15H,14H2,1H3,(H2,26,27,28)
InChIKeyYCHLOZCFAYHEBM-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.55
Rot. Bonds6

About 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea

1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea (PubChem CID 78895874) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
PubChem CID78895874
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1C#N)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C22H19FN4O2/c1-15(26-22(28)27-21-9-6-19(23)11-18(21)12-24)17-4-7-20(8-5-17)29-14-16-3-2-10-25-13-16/h2-11,13,15H,14H2,1H3,(H2,26,27,28)
InChIKeyYCHLOZCFAYHEBM-UHFFFAOYSA-N
XLogP4.55
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]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

2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
CID 55959854
1-(2-cyano-4-fluorophenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78839341
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 86875382
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
CID 55692680
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea (CID 78895874) is 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea is CC(NC(=O)Nc1ccc(F)cc1C#N)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
The InChIKey is YCHLOZCFAYHEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-15(26-22(28)27-21-9-6-19(23)11-18(21)12-24)17-4-7-20(8-5-17)29-14-16-3-2-10-25-13-16/h2-11,13,15H,14H2,1H3,(H2,26,27,28).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea has a molecular weight of 390.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 78895874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).