1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea

C17H26N4O3S — CID 113013709

IUPAC1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
SMILESCN(c1ccc(NC(=O)NC2CCCCC2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-21(15-9-10-25(23,24)12-15)16-8-7-14(11-18-16)20-17(22)19-13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyLHJJYARDYKFEDG-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.16
Rot. Bonds4

About 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea

1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea (PubChem CID 113013709) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
PubChem CID113013709
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
SMILESCN(c1ccc(NC(=O)NC2CCCCC2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-21(15-9-10-25(23,24)12-15)16-8-7-14(11-18-16)20-17(22)19-13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyLHJJYARDYKFEDG-UHFFFAOYSA-N
XLogP2.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea with MolForge

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
CID 113013666
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113013675
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113013684
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109159423
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113013723

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea (CID 113013709) is 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea is CN(c1ccc(NC(=O)NC2CCCCC2)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea?
The InChIKey is LHJJYARDYKFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-21(15-9-10-25(23,24)12-15)16-8-7-14(11-18-16)20-17(22)19-13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea?
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea has a molecular weight of 366.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea is sourced from PubChem (CID 113013709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).