5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid

C14H20N2O4 — CID 79794170

IUPAC5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O4/c1-4-10(5-2)16-13(17)9(3)20-11-6-7-12(14(18)19)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBQFRNDOWJVNJPB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.85
Rot. Bonds7

About 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid

5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid (PubChem CID 79794170) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
PubChem CID79794170
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O4/c1-4-10(5-2)16-13(17)9(3)20-11-6-7-12(14(18)19)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBQFRNDOWJVNJPB-UHFFFAOYSA-N
XLogP1.85
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-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

5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794863

Frequently Asked Questions

What is the IUPAC name of 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid (CID 79794170) is 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid is CCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid?
The InChIKey is BQFRNDOWJVNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(5-2)16-13(17)9(3)20-11-6-7-12(14(18)19)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid?
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 79794170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).