5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid

C13H18N4O3 — CID 114407658

IUPAC5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCC(=O)N1CCCCC1
InChIInChI=1S/C13H18N4O3/c14-9-4-5-10(13(19)20)16-12(9)15-8-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-8,14H2,(H,15,16)(H,19,20)
InChIKeyQIXQSXVQNBTWOB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds4

About 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid

5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid (PubChem CID 114407658) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
PubChem CID114407658
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCC(=O)N1CCCCC1
InChIInChI=1S/C13H18N4O3/c14-9-4-5-10(13(19)20)16-12(9)15-8-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-8,14H2,(H,15,16)(H,19,20)
InChIKeyQIXQSXVQNBTWOB-UHFFFAOYSA-N
XLogP0.79
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106028495
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499
5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685506
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103139050
2-(3-acetyl-4-aminoanilino)-1-pyrrolidin-1-ylethanone
CID 104613107
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid (CID 114407658) is 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1NCC(=O)N1CCCCC1.
What is the InChIKey of 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is QIXQSXVQNBTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-9-4-5-10(13(19)20)16-12(9)15-8-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-8,14H2,(H,15,16)(H,19,20).
What are the key properties of 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).