3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

C20H28N4O — CID 91652991

IUPAC3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCN(CC)CCc1ccc(NC(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H28N4O/c1-4-24(5-2)15-13-17-9-11-18(12-10-17)22-20(25)23(3)16-19-8-6-7-14-21-19/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,22,25)
InChIKeyLWKYRJZYKUFUKQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.63
Rot. Bonds8

About 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 91652991) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID91652991
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCN(CC)CCc1ccc(NC(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H28N4O/c1-4-24(5-2)15-13-17-9-11-18(12-10-17)22-20(25)23(3)16-19-8-6-7-14-21-19/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,22,25)
InChIKeyLWKYRJZYKUFUKQ-UHFFFAOYSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
CID 119047435
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 47493098
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
CID 46999034

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 91652991) is 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is CCN(CC)CCc1ccc(NC(=O)N(C)Cc2ccccn2)cc1.
What is the InChIKey of 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is LWKYRJZYKUFUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-24(5-2)15-13-17-9-11-18(12-10-17)22-20(25)23(3)16-19-8-6-7-14-21-19/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,22,25).
What are the key properties of 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 91652991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).