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

C14H19N3O3 — CID 106977589

IUPAC1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-2-5-14(13(19)20)6-3-8-17(14)10-4-7-16-11(9-10)12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyPMBIUMKNOXRZIF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds5

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

1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977589) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977589
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-2-5-14(13(19)20)6-3-8-17(14)10-4-7-16-11(9-10)12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyPMBIUMKNOXRZIF-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977619
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107056599
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977681
2-propyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylic acid
CID 106977575
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977589) is 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1ccnc(C(N)=O)c1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is PMBIUMKNOXRZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-5-14(13(19)20)6-3-8-17(14)10-4-7-16-11(9-10)12(15)18/h4,7,9H,2-3,5-6,8H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.40, 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)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).