1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea

C8H11N3O2 — CID 20784612

IUPAC1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea
SMILESCN(C)C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h3-5H,1-2H3,(H,9,12)(H,10,13)
InChIKeyVCEAZXJDGAWWET-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.47
Rot. Bonds1

About 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea

1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea (PubChem CID 20784612) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea
PubChem CID20784612
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea
SMILESCN(C)C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h3-5H,1-2H3,(H,9,12)(H,10,13)
InChIKeyVCEAZXJDGAWWET-UHFFFAOYSA-N
XLogP0.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110743956
N-(6-oxo-1H-pyridin-3-yl)cyclopropanecarboxamide
CID 110724856
2-(4-methylphenoxy)-N-(6-oxo-1H-pyridin-3-yl)acetamide
CID 110724905
N-(6-oxo-1H-pyridin-3-yl)-3-phenylpropanamide
CID 110724889
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
N-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 110724902
3-(4-chloro-2-deuteriophenyl)-1,1-dimethylurea
CID 10536010
N,N-dimethyl-4-(6-oxo-1H-pyridin-3-yl)benzamide
CID 53218069
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea
CID 58659438

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea (CID 20784612) is 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea is CN(C)C(=O)Nc1ccc(=O)[nH]c1.
What is the InChIKey of 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea?
The InChIKey is VCEAZXJDGAWWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h3-5H,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea?
1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea has a molecular weight of 181.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(6-oxo-1H-pyridin-3-yl)urea is sourced from PubChem (CID 20784612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).