1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea

C20H24N4O — CID 71857134

IUPAC1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)N(CCC#N)Cc1ccccn1
InChIInChI=1S/C20H24N4O/c1-15(2)18-10-6-8-16(3)19(18)23-20(25)24(13-7-11-21)14-17-9-4-5-12-22-17/h4-6,8-10,12,15H,7,13-14H2,1-3H3,(H,23,25)
InChIKeyQULHCEHBMPLGKP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea

1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 71857134) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID71857134
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)N(CCC#N)Cc1ccccn1
InChIInChI=1S/C20H24N4O/c1-15(2)18-10-6-8-16(3)19(18)23-20(25)24(13-7-11-21)14-17-9-4-5-12-22-17/h4-6,8-10,12,15H,7,13-14H2,1-3H3,(H,23,25)
InChIKeyQULHCEHBMPLGKP-UHFFFAOYSA-N
XLogP4.46
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)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-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56825636

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea (CID 71857134) is 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea is Cc1cccc(C(C)C)c1NC(=O)N(CCC#N)Cc1ccccn1.
What is the InChIKey of 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is QULHCEHBMPLGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(2)18-10-6-8-16(3)19(18)23-20(25)24(13-7-11-21)14-17-9-4-5-12-22-17/h4-6,8-10,12,15H,7,13-14H2,1-3H3,(H,23,25).
What are the key properties of 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea?
1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 336.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 71857134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).