1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

C16H22N2O4 — CID 156603768

IUPAC1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(C(=O)c2cccnc2OCC)CC1C(=O)O
InChIInChI=1S/C16H22N2O4/c1-3-6-11-9-18(10-13(11)16(20)21)15(19)12-7-5-8-17-14(12)22-4-2/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,20,21)
InChIKeyRSEOWRKJPZQJDX-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.05
Rot. Bonds6

About 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 156603768) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID156603768
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1CN(C(=O)c2cccnc2OCC)CC1C(=O)O
InChIInChI=1S/C16H22N2O4/c1-3-6-11-9-18(10-13(11)16(20)21)15(19)12-7-5-8-17-14(12)22-4-2/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,20,21)
InChIKeyRSEOWRKJPZQJDX-UHFFFAOYSA-N
XLogP2.05
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
2-[(1R,5S)-3-(2-ethoxypyridine-3-carbonyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133133507
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 86282963
(2-ethoxy-3-pyridinyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 146043149
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone
CID 2466508

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (CID 156603768) is 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is CCCC1CN(C(=O)c2cccnc2OCC)CC1C(=O)O.
What is the InChIKey of 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is RSEOWRKJPZQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-6-11-9-18(10-13(11)16(20)21)15(19)12-7-5-8-17-14(12)22-4-2/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 156603768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).