1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 63147166

IUPAC1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C14H19N3O3/c1-2-4-14(13(19)20)5-7-17(9-14)10-3-6-16-11(8-10)12(15)18/h3,6,8H,2,4-5,7,9H2,1H3,(H2,15,18)(H,19,20)
InChIKeyWRJSMYWHSAHUMK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds5

About 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147166) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147166
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C14H19N3O3/c1-2-4-14(13(19)20)5-7-17(9-14)10-3-6-16-11(8-10)12(15)18/h3,6,8H,2,4-5,7,9H2,1H3,(H2,15,18)(H,19,20)
InChIKeyWRJSMYWHSAHUMK-UHFFFAOYSA-N
XLogP1.26
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
1-(4-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147029
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66286395
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 133313842
1-(2-carbamoyl-3-chlorophenyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147426
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63147166) is 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WRJSMYWHSAHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-4-14(13(19)20)5-7-17(9-14)10-3-6-16-11(8-10)12(15)18/h3,6,8H,2,4-5,7,9H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).