5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 106318842

IUPAC5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)C1(C)CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(19)14-2)5-6-16(8-13)9-3-4-10(11(17)18)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyFHYYMKMKLFCHEG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.74
Rot. Bonds3

About 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 106318842) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID106318842
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCNC(=O)C1(C)CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(19)14-2)5-6-16(8-13)9-3-4-10(11(17)18)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyFHYYMKMKLFCHEG-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319031
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 115491017
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
1-[4-(hydroxymethyl)-3-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318999
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 106321433
1-(3-chloro-4-formylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318881
1-[4-(aminomethyl)-3-bromophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317727
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 106318842) is 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is CNC(=O)C1(C)CCN(c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FHYYMKMKLFCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(19)14-2)5-6-16(8-13)9-3-4-10(11(17)18)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106318842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).