1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea

C19H20N4O2 — CID 2812851

IUPAC1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea
SMILESN#CCCN(CCc1ccccn1)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N4O2/c20-9-3-11-23(12-7-16-4-1-2-10-21-16)19(24)22-17-5-6-18-15(14-17)8-13-25-18/h1-2,4-6,10,14H,3,7-8,11-13H2,(H,22,24)
InChIKeyMWUZXBOORABBQL-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea

1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea (PubChem CID 2812851) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea
PubChem CID2812851
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea
SMILESN#CCCN(CCc1ccccn1)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N4O2/c20-9-3-11-23(12-7-16-4-1-2-10-21-16)19(24)22-17-5-6-18-15(14-17)8-13-25-18/h1-2,4-6,10,14H,3,7-8,11-13H2,(H,22,24)
InChIKeyMWUZXBOORABBQL-UHFFFAOYSA-N
XLogP3.01
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-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

1-(2-cyanoethyl)-3-(3,4-dihydro-2H-chromen-6-yl)-1-(pyridin-3-ylmethyl)urea
CID 71852443
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 71870344
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 56825635
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725101
4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
CID 65444542
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea
CID 75471964
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
CID 119043715
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 124864179
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725112

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea (CID 2812851) is 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea is N#CCCN(CCc1ccccn1)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is MWUZXBOORABBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-9-3-11-23(12-7-16-4-1-2-10-21-16)19(24)22-17-5-6-18-15(14-17)8-13-25-18/h1-2,4-6,10,14H,3,7-8,11-13H2,(H,22,24).
What are the key properties of 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea?
1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 2812851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).