4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid

C12H15N3O3 — CID 113402381

IUPAC4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)NC1CCN(c2ccncc2C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-9-3-5-15(7-9)11-2-4-13-6-10(11)12(17)18/h2,4,6,9H,3,5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQZLKCOAQLHXONW-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds3

About 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid

4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 113402381) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID113402381
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)NC1CCN(c2ccncc2C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-9-3-5-15(7-9)11-2-4-13-6-10(11)12(17)18/h2,4,6,9H,3,5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQZLKCOAQLHXONW-UHFFFAOYSA-N
XLogP0.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidopyrrolidin-1-yl)-5-aminobenzoic acid
CID 113402594
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81244268
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 83888249
4-(3-acetamidopyrrolidin-1-yl)-3-bromobenzoic acid
CID 114062309
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
CID 114410062
6-[4-[(3S)-3-acetamidopyrrolidin-1-yl]-3-methylphenyl]pyrazine-2-carboxylic acid
CID 146346965

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 113402381) is 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid is CC(=O)NC1CCN(c2ccncc2C(=O)O)C1.
What is the InChIKey of 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is QZLKCOAQLHXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)14-9-3-5-15(7-9)11-2-4-13-6-10(11)12(17)18/h2,4,6,9H,3,5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid?
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 113402381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).