1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea

C15H22N4O3S — CID 113029223

IUPAC1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
SMILESCCN(c1ccc(NC(=O)NC2CC2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N4O3S/c1-2-19(13-7-8-23(21,22)10-13)12-5-6-14(16-9-12)18-15(20)17-11-3-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H2,16,17,18,20)
InChIKeyFNUOWZKJSQNXJY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea

1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea (PubChem CID 113029223) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
PubChem CID113029223
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
SMILESCCN(c1ccc(NC(=O)NC2CC2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N4O3S/c1-2-19(13-7-8-23(21,22)10-13)12-5-6-14(16-9-12)18-15(20)17-11-3-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H2,16,17,18,20)
InChIKeyFNUOWZKJSQNXJY-UHFFFAOYSA-N
XLogP1.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea with MolForge

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Related Compounds

2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113029197
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109194044
N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113028710
N-[4-(aminomethyl)phenyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 54914556
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709
tert-butyl N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]carbamate
CID 112984308
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
CID 112984282
N-(2,3-dimethylphenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215809
N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087
N-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea (CID 113029223) is 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea is CCN(c1ccc(NC(=O)NC2CC2)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea?
The InChIKey is FNUOWZKJSQNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-2-19(13-7-8-23(21,22)10-13)12-5-6-14(16-9-12)18-15(20)17-11-3-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea?
1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea has a molecular weight of 338.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea is sourced from PubChem (CID 113029223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).