2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid

C14H20N2O5 — CID 81085835

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-7-9(2)15-12(17)11(8)13(18)16-10(14(19)20)5-4-6-21-3/h7,10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyWPMUNYUIDZPDMG-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.60
Rot. Bonds7

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid (PubChem CID 81085835) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
PubChem CID81085835
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-7-9(2)15-12(17)11(8)13(18)16-10(14(19)20)5-4-6-21-3/h7,10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyWPMUNYUIDZPDMG-UHFFFAOYSA-N
XLogP0.60
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
(2S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61152695
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975629
N-(4-hydroxy-1-methoxybutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103799171
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54990799
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
CID 81085336
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
N-(2-methoxyethoxy)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79676518
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467541
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid (CID 81085835) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid?
The InChIKey is WPMUNYUIDZPDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8-7-9(2)15-12(17)11(8)13(18)16-10(14(19)20)5-4-6-21-3/h7,10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).