3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

C17H18N4O — CID 23994401

IUPAC3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H18N4O/c1-2-21(12-10-15-5-3-4-11-19-15)17(22)20-16-8-6-14(13-18)7-9-16/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyQNFRUXVKOHMJSX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds5

About 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 23994401) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID23994401
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H18N4O/c1-2-21(12-10-15-5-3-4-11-19-15)17(22)20-16-8-6-14(13-18)7-9-16/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyQNFRUXVKOHMJSX-UHFFFAOYSA-N
XLogP3.05
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)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

3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 5016217
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
O-(2-pyridin-2-ylethyl) N-(4-cyanophenyl)carbamothioate
CID 44560127
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
CID 42703373
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
3-(4-chlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-pyridin-2-ylethyl)urea
CID 42697640
3-(4-cyanophenyl)-1-(2,2-diethoxyethyl)-1-(2-phenylethyl)urea
CID 3742710
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 1057498
1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea
CID 2812851
1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea
CID 118776786

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (CID 23994401) is 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is CCN(CCc1ccccn1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is QNFRUXVKOHMJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-21(12-10-15-5-3-4-11-19-15)17(22)20-16-8-6-14(13-18)7-9-16/h3-9,11H,2,10,12H2,1H3,(H,20,22).
What are the key properties of 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 294.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 23994401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).