1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea

C15H20N6O3S — CID 18104092

IUPAC1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea
SMILESCCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccnc2)nc1
InChIInChI=1S/C15H20N6O3S/c1-3-21(4-2)25(23,24)13-7-8-14(17-11-13)19-20-15(22)18-12-6-5-9-16-10-12/h5-11H,3-4H2,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyJNZBGLMUYDRUIK-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.66
Rot. Bonds7

About 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea

1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea (PubChem CID 18104092) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea
PubChem CID18104092
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea
SMILESCCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccnc2)nc1
InChIInChI=1S/C15H20N6O3S/c1-3-21(4-2)25(23,24)13-7-8-14(17-11-13)19-20-15(22)18-12-6-5-9-16-10-12/h5-11H,3-4H2,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyJNZBGLMUYDRUIK-UHFFFAOYSA-N
XLogP1.66
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
1-anilino-3-pyridin-3-ylurea
CID 47127655
N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 6217588
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
CID 27165444
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
CID 54899558
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
CID 5267788
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009351

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea?
The IUPAC name of 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea (CID 18104092) is 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea is CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccnc2)nc1.
What is the InChIKey of 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea?
The InChIKey is JNZBGLMUYDRUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-3-21(4-2)25(23,24)13-7-8-14(17-11-13)19-20-15(22)18-12-6-5-9-16-10-12/h5-11H,3-4H2,1-2H3,(H,17,19)(H2,18,20,22).
What are the key properties of 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea?
1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea has a molecular weight of 364.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea is sourced from PubChem (CID 18104092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).