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

C8H11N3O — CID 17171367

IUPAC1-methyl-3-(3-methyl-2-pyridinyl)urea
SMILESCNC(=O)Nc1ncccc1C
InChIInChI=1S/C8H11N3O/c1-6-4-3-5-10-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeySCOHKAYIHKSJHW-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.14
Rot. Bonds1

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

1-methyl-3-(3-methyl-2-pyridinyl)urea (PubChem CID 17171367) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-pyridinyl)urea
PubChem CID17171367
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-methyl-3-(3-methyl-2-pyridinyl)urea
SMILESCNC(=O)Nc1ncccc1C
InChIInChI=1S/C8H11N3O/c1-6-4-3-5-10-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeySCOHKAYIHKSJHW-UHFFFAOYSA-N
XLogP1.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
CID 47447190

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-methyl-3-(3-methyl-2-pyridinyl)urea (CID 17171367) is 1-methyl-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-methyl-3-(3-methyl-2-pyridinyl)urea is CNC(=O)Nc1ncccc1C.
What is the InChIKey of 1-methyl-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is SCOHKAYIHKSJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-4-3-5-10-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12).
What are the key properties of 1-methyl-3-(3-methyl-2-pyridinyl)urea?
1-methyl-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 165.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 17171367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).