1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen

C16H23N3O — CID 142430760

IUPAC1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen
SMILESCCc1cncc(CNC(=O)NCc2ccccc2)c1.[H][H].[H][H]
InChIInChI=1S/C16H19N3O.2H2/c1-2-13-8-15(10-17-9-13)12-19-16(20)18-11-14-6-4-3-5-7-14;;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);2*1H
InChIKeyHVRFGUVSVKWXON-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds5

About 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen

1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen (PubChem CID 142430760) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen.

Molecular Properties

Compound Name1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen
PubChem CID142430760
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen
SMILESCCc1cncc(CNC(=O)NCc2ccccc2)c1.[H][H].[H][H]
InChIInChI=1S/C16H19N3O.2H2/c1-2-13-8-15(10-17-9-13)12-19-16(20)18-11-14-6-4-3-5-7-14;;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);2*1H
InChIKeyHVRFGUVSVKWXON-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
1-benzyl-3-methylurea;ethane
CID 90763782
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
2-[(pyridin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218846
1-benzyl-3-butan-2-ylurea
CID 10512480

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen?
The IUPAC name of 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen (CID 142430760) is 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen.
What is the SMILES notation for 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen?
The canonical SMILES for 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen is CCc1cncc(CNC(=O)NCc2ccccc2)c1.[H][H].[H][H].
What is the InChIKey of 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen?
The InChIKey is HVRFGUVSVKWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2H2/c1-2-13-8-15(10-17-9-13)12-19-16(20)18-11-14-6-4-3-5-7-14;;/h3-10H,2,11-12H2,1H3,(H2,18,19,20);2*1H.
What are the key properties of 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen?
1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen has a molecular weight of 273.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen is sourced from PubChem (CID 142430760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).