1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C16H22N2O3 — CID 106977067

IUPAC1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C16H22N2O3/c1-4-8-16(15(20)21)9-5-10-18(16)14(19)13-7-6-11(2)17-12(13)3/h6-7H,4-5,8-10H2,1-3H3,(H,20,21)
InChIKeyAQUCLHRGOBPCOJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977067) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977067
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C16H22N2O3/c1-4-8-16(15(20)21)9-5-10-18(16)14(19)13-7-6-11(2)17-12(13)3/h6-7H,4-5,8-10H2,1-3H3,(H,20,21)
InChIKeyAQUCLHRGOBPCOJ-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(2-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977294
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2-bromo-4-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107987017
1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 167988294
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
1-(3-bromo-2-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107949526
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977067) is 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is AQUCLHRGOBPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-8-16(15(20)21)9-5-10-18(16)14(19)13-7-6-11(2)17-12(13)3/h6-7H,4-5,8-10H2,1-3H3,(H,20,21).
What are the key properties of 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).