6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 60855368

IUPAC6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCN1CCC(CNC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H19N3O3/c1-2-17-7-6-10(9-17)8-15-13(18)11-4-3-5-12(16-11)14(19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyDIYWUYCGDFBLAX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.85
Rot. Bonds5

About 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 60855368) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID60855368
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCN1CCC(CNC(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H19N3O3/c1-2-17-7-6-10(9-17)8-15-13(18)11-4-3-5-12(16-11)14(19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyDIYWUYCGDFBLAX-UHFFFAOYSA-N
XLogP0.85
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 60855368) is 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is CCN1CCC(CNC(=O)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DIYWUYCGDFBLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-17-7-6-10(9-17)8-15-13(18)11-4-3-5-12(16-11)14(19)20/h3-5,10H,2,6-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 60855368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).