1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 63007175

IUPAC1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C13H17N3O3/c1-15(2)11-4-3-9(7-14-11)12(17)16-6-5-10(8-16)13(18)19/h3-4,7,10H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyANCKYSGMEARMFR-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.69
Rot. Bonds3

About 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63007175) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID63007175
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C13H17N3O3/c1-15(2)11-4-3-9(7-14-11)12(17)16-6-5-10(8-16)13(18)19/h3-4,7,10H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyANCKYSGMEARMFR-UHFFFAOYSA-N
XLogP0.69
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150
1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 56817809
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63031624
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 63007175) is 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is CN(C)c1ccc(C(=O)N2CCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ANCKYSGMEARMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(2)11-4-3-9(7-14-11)12(17)16-6-5-10(8-16)13(18)19/h3-4,7,10H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63007175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).