5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide

C11H14ClN3O3S — CID 47292812

IUPAC5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2CCS(=O)(=O)C2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O3S/c12-9-3-8(10(13)16)5-15-11(9)14-4-7-1-2-19(17,18)6-7/h3,5,7H,1-2,4,6H2,(H2,13,16)(H,14,15)
InChIKeyGRRSKBBNHGGUBD-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.68
Rot. Bonds4

About 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide

5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide (PubChem CID 47292812) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
PubChem CID47292812
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2CCS(=O)(=O)C2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O3S/c12-9-3-8(10(13)16)5-15-11(9)14-4-7-1-2-19(17,18)6-7/h3,5,7H,1-2,4,6H2,(H2,13,16)(H,14,15)
InChIKeyGRRSKBBNHGGUBD-UHFFFAOYSA-N
XLogP0.68
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide (CID 47292812) is 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCC2CCS(=O)(=O)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is GRRSKBBNHGGUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-9-3-8(10(13)16)5-15-11(9)14-4-7-1-2-19(17,18)6-7/h3,5,7H,1-2,4,6H2,(H2,13,16)(H,14,15).
What are the key properties of 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide?
5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 47292812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).