1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea

C17H21N3O — CID 3720168

IUPAC1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2cccnc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-9-14(3)16(10-13(12)2)20-17(21)19-8-6-15-5-4-7-18-11-15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,19,20,21)
InChIKeyHTYDJDSNSKMTOQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea

1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea (PubChem CID 3720168) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
PubChem CID3720168
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2cccnc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-9-14(3)16(10-13(12)2)20-17(21)19-8-6-15-5-4-7-18-11-15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,19,20,21)
InChIKeyHTYDJDSNSKMTOQ-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
CID 3497619
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
ethyl 2-(2-pyridin-3-ylethylcarbamoylamino)benzoate
CID 4996691
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea (CID 3720168) is 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCCc2cccnc2)cc1C.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea?
The InChIKey is HTYDJDSNSKMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-9-14(3)16(10-13(12)2)20-17(21)19-8-6-15-5-4-7-18-11-15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea?
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea has a molecular weight of 283.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 3720168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).