1,1-diethyl-3-(2-pyridin-2-ylethyl)urea

C12H19N3O — CID 115583070

IUPAC1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
SMILESCCN(CC)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-10-8-11-7-5-6-9-13-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,14,16)
InChIKeyTUKIJCPZLPZSJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.68
Rot. Bonds5

About 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea

1,1-diethyl-3-(2-pyridin-2-ylethyl)urea (PubChem CID 115583070) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
PubChem CID115583070
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
SMILESCCN(CC)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-10-8-11-7-5-6-9-13-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,14,16)
InChIKeyTUKIJCPZLPZSJZ-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea (CID 115583070) is 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea is CCN(CC)C(=O)NCCc1ccccn1.
What is the InChIKey of 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is TUKIJCPZLPZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(4-2)12(16)14-10-8-11-7-5-6-9-13-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea?
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 221.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 115583070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).