3-(5-cyano-2-pyridinyl)-1,1-dimethylurea

C9H10N4O — CID 79153512

IUPAC3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C9H10N4O/c1-13(2)9(14)12-8-4-3-7(5-10)6-11-8/h3-4,6H,1-2H3,(H,11,12,14)
InChIKeyYKEQSDKIAKYYFN-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.05
Rot. Bonds1

About 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea

3-(5-cyano-2-pyridinyl)-1,1-dimethylurea (PubChem CID 79153512) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
PubChem CID79153512
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C9H10N4O/c1-13(2)9(14)12-8-4-3-7(5-10)6-11-8/h3-4,6H,1-2H3,(H,11,12,14)
InChIKeyYKEQSDKIAKYYFN-UHFFFAOYSA-N
XLogP1.05
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-cyano-2-pyridinyl)acetamide
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3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
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CID 62353732
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea?
The IUPAC name of 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea (CID 79153512) is 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea?
The InChIKey is YKEQSDKIAKYYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(2)9(14)12-8-4-3-7(5-10)6-11-8/h3-4,6H,1-2H3,(H,11,12,14).
What are the key properties of 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea?
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea has a molecular weight of 190.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2-pyridinyl)-1,1-dimethylurea is sourced from PubChem (CID 79153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).