N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide

C13H19N3O3S — CID 113013662

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C13H19N3O3S/c1-3-13(17)15-10-4-5-12(14-8-10)16(2)11-6-7-20(18,19)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyABCRBLVKHIDZCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.05
Rot. Bonds4

About N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide (PubChem CID 113013662) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
PubChem CID113013662
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C13H19N3O3S/c1-3-13(17)15-10-4-5-12(14-8-10)16(2)11-6-7-20(18,19)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyABCRBLVKHIDZCB-UHFFFAOYSA-N
XLogP1.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
CID 113013666
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
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
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-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62284182

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide (CID 113013662) is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide?
The InChIKey is ABCRBLVKHIDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-13(17)15-10-4-5-12(14-8-10)16(2)11-6-7-20(18,19)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide?
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide has a molecular weight of 297.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide is sourced from PubChem (CID 113013662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).