5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

C12H13N3O3S — CID 55229987

IUPAC5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(C#N)cn2)CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O3S/c1-12(4-5-19(17,18)8-12)15-11(16)10-3-2-9(6-13)7-14-10/h2-3,7H,4-5,8H2,1H3,(H,15,16)
InChIKeyBFKILXJMDAAMQY-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds2

About 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (PubChem CID 55229987) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
PubChem CID55229987
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(C#N)cn2)CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O3S/c1-12(4-5-19(17,18)8-12)15-11(16)10-3-2-9(6-13)7-14-10/h2-3,7H,4-5,8H2,1H3,(H,15,16)
InChIKeyBFKILXJMDAAMQY-UHFFFAOYSA-N
XLogP0.26
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanothiophen-2-yl)picolinamide
CID 2525612
5-Cyano-pyridine-2-carboxylic acid [3-((R)-5-amino-3,6,6-trimethyl-1,1-dioxo-1,2,3,6-tetrahydro-1lambda6-[1,4]thiazin-3-yl)-4-fluoro-phenyl]-amide
CID 66562670
5-cyano-pyridine-2-carboxylic acid [3-((R)-5-amino-3-methyl-1,1-dioxo-1,2,3,6-tetrahydro-1lambda6-[1,4]thiazin-3-yl)-4-fluoro-phenyl]-amide
CID 72548198
5-Cyano-pyridine-2-carboxylic acid [3-((R)-10-amino-8-methyl-6,6-dioxo-6lambda6-thia-9-aza-spiro[4.5]dec-9-en-8-yl)-4-fluoro-phenyl]-amide
CID 90067089
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-1lambda6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71532072
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
CID 89094955
2-[4-Methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
CID 23316646
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 33117105
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyridine-2-carboxamide
CID 42443525
N-(1,1-dioxothiolan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47019912
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 72136712

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (CID 55229987) is 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is CC1(NC(=O)c2ccc(C#N)cn2)CCS(=O)(=O)C1.
What is the InChIKey of 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is BFKILXJMDAAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-12(4-5-19(17,18)8-12)15-11(16)10-3-2-9(6-13)7-14-10/h2-3,7H,4-5,8H2,1H3,(H,15,16).
What are the key properties of 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 55229987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).