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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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
CID 95141905
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
2-amino-5-[(1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 62132713
6-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2,3-diamine
CID 113316900
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
CID 133308115
4-chloro-2-[(1,1-dioxothiolan-3-yl)methylamino]benzenecarbothioamide
CID 63094532
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 62131982
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]benzamide
CID 55026135

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).