1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C14H21N3O — CID 108915110

IUPAC1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(C)n1)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-10(14(3,4)5)9-15-13(18)17-12-8-6-7-11(2)16-12/h6-9H,1-5H3,(H2,15,16,17,18)/b10-9+
InChIKeyVNIJGMVFJWXEII-MDZDMXLPSA-N
MW247.34 g/mol
LogP3.46
Rot. Bonds2

About 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915110) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915110
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(C)n1)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-10(14(3,4)5)9-15-13(18)17-12-8-6-7-11(2)16-12/h6-9H,1-5H3,(H2,15,16,17,18)/b10-9+
InChIKeyVNIJGMVFJWXEII-MDZDMXLPSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915269
1-pyrimidin-2-yl-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915067
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914921
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
CID 108906986
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914916
1-(5-bromopyrimidin-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915270

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915110) is 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)Nc1cccc(C)n1)C(C)(C)C.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is VNIJGMVFJWXEII-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(14(3,4)5)9-15-13(18)17-12-8-6-7-11(2)16-12/h6-9H,1-5H3,(H2,15,16,17,18)/b10-9+.
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 247.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).