1-ethenyl-3-(3-methyl-2-pyridinyl)urea

C9H11N3O — CID 108909309

IUPAC1-ethenyl-3-(3-methyl-2-pyridinyl)urea
SMILESC=CNC(=O)Nc1ncccc1C
InChIInChI=1S/C9H11N3O/c1-3-10-9(13)12-8-7(2)5-4-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12,13)
InChIKeyYCDCLIKIQNONOW-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.66
Rot. Bonds2

About 1-ethenyl-3-(3-methyl-2-pyridinyl)urea

1-ethenyl-3-(3-methyl-2-pyridinyl)urea (PubChem CID 108909309) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-ethenyl-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-(3-methyl-2-pyridinyl)urea
PubChem CID108909309
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-ethenyl-3-(3-methyl-2-pyridinyl)urea
SMILESC=CNC(=O)Nc1ncccc1C
InChIInChI=1S/C9H11N3O/c1-3-10-9(13)12-8-7(2)5-4-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12,13)
InChIKeyYCDCLIKIQNONOW-UHFFFAOYSA-N
XLogP1.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914095
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-ethenyl-3-(3-methyl-2-pyridinyl)urea (CID 108909309) is 1-ethenyl-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-ethenyl-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-ethenyl-3-(3-methyl-2-pyridinyl)urea is C=CNC(=O)Nc1ncccc1C.
What is the InChIKey of 1-ethenyl-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is YCDCLIKIQNONOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-10-9(13)12-8-7(2)5-4-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12,13).
What are the key properties of 1-ethenyl-3-(3-methyl-2-pyridinyl)urea?
1-ethenyl-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 177.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108909309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).