2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

C14H17N3O4 — CID 106317951

IUPAC2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-14(13(21)15-2)5-7-17(8-14)11(18)10-9(12(19)20)4-3-6-16-10/h3-4,6H,5,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyMLLZGUAAJVFMCJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.38
Rot. Bonds3

About 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 106317951) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID106317951
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-14(13(21)15-2)5-7-17(8-14)11(18)10-9(12(19)20)4-3-6-16-10/h3-4,6H,5,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyMLLZGUAAJVFMCJ-UHFFFAOYSA-N
XLogP0.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (CID 106317951) is 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is CNC(=O)C1(C)CCN(C(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is MLLZGUAAJVFMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(13(21)15-2)5-7-17(8-14)11(18)10-9(12(19)20)4-3-6-16-10/h3-4,6H,5,7-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106317951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).