1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 79364373

IUPAC1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-9-11(14(19)20)5-7-17(9)13(18)10-4-6-15-12(8-10)16(2)3/h4,6,8-9,11H,5,7H2,1-3H3,(H,19,20)
InChIKeyOJMFJOKZTGACTJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.08
Rot. Bonds3

About 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79364373) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79364373
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-9-11(14(19)20)5-7-17(9)13(18)10-4-6-15-12(8-10)16(2)3/h4,6,8-9,11H,5,7H2,1-3H3,(H,19,20)
InChIKeyOJMFJOKZTGACTJ-UHFFFAOYSA-N
XLogP1.08
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499
(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714936
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363618
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95765348
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
(2R,3R)-2-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122116549
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79364373) is 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)c1ccnc(N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OJMFJOKZTGACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-11(14(19)20)5-7-17(9)13(18)10-4-6-15-12(8-10)16(2)3/h4,6,8-9,11H,5,7H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).