1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid

C14H16ClN3O2 — CID 107056599

IUPAC1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nccc(C#N)c1Cl
InChIInChI=1S/C14H16ClN3O2/c1-2-5-14(13(19)20)6-3-8-18(14)12-11(15)10(9-16)4-7-17-12/h4,7H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyDQPAARPWUJVYLX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.83
Rot. Bonds4

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

1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 107056599) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID107056599
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nccc(C#N)c1Cl
InChIInChI=1S/C14H16ClN3O2/c1-2-5-14(13(19)20)6-3-8-18(14)12-11(15)10(9-16)4-7-17-12/h4,7H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyDQPAARPWUJVYLX-UHFFFAOYSA-N
XLogP2.83
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylic acid
CID 106977575
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
2-propyl-1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
CID 106977669
2-propyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxylic acid
CID 106977510
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
1-(2-chloro-4-nitrophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977719
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977681
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
1-phthalazin-1-yl-2-propylpyrrolidine-2-carboxylic acid
CID 106977500
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590
1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977619
1-(2-cyano-5-methylphenyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid (CID 107056599) is 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1nccc(C#N)c1Cl.
What is the InChIKey of 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is DQPAARPWUJVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-5-14(13(19)20)6-3-8-18(14)12-11(15)10(9-16)4-7-17-12/h4,7H,2-3,5-6,8H2,1H3,(H,19,20).
What are the key properties of 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107056599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).