6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid

C14H18N2O3S — CID 146108167

IUPAC6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCSC1(CNC(=O)c2cc(C(=O)O)cnc2C)CCC1
InChIInChI=1S/C14H18N2O3S/c1-9-11(6-10(7-15-9)13(18)19)12(17)16-8-14(20-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXLEFXJCVMNKEBK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.10
Rot. Bonds5

About 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid

6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 146108167) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID146108167
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCSC1(CNC(=O)c2cc(C(=O)O)cnc2C)CCC1
InChIInChI=1S/C14H18N2O3S/c1-9-11(6-10(7-15-9)13(18)19)12(17)16-8-14(20-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXLEFXJCVMNKEBK-UHFFFAOYSA-N
XLogP2.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 146108167) is 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid is CSC1(CNC(=O)c2cc(C(=O)O)cnc2C)CCC1.
What is the InChIKey of 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XLEFXJCVMNKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-11(6-10(7-15-9)13(18)19)12(17)16-8-14(20-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146108167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).