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

C14H20N2O4 — CID 43469733

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-5-6-10(14(19)20)16-13(18)11-8(2)7-9(3)15-12(11)17/h7,10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyHVLPRWZIQZYGOM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.36
Rot. Bonds6

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 43469733) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID43469733
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-5-6-10(14(19)20)16-13(18)11-8(2)7-9(3)15-12(11)17/h7,10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyHVLPRWZIQZYGOM-UHFFFAOYSA-N
XLogP1.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
CID 81085835
(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
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54990799
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467541
(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 120615362
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 43469889
(2S)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 120614754
N-(4-hydroxy-1-methoxybutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103799171
(2S)-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 107144153
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 167792286

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 43469733) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is CCCCC(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]hexanoic acid?
The InChIKey is HVLPRWZIQZYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-6-10(14(19)20)16-13(18)11-8(2)7-9(3)15-12(11)17/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]hexanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).