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

C13H18N2O4 — CID 126449273

IUPAC(3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid
SMILESCCC[C@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C13H18N2O4/c1-3-4-9(6-12(17)18)15-13(19)11-7-10(16)5-8(2)14-11/h5,7,9H,3-4,6H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyPUUADDJXSKPWMG-SECBINFHSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds6

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

(3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid (PubChem CID 126449273) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid
PubChem CID126449273
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid
SMILESCCC[C@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C13H18N2O4/c1-3-4-9(6-12(17)18)15-13(19)11-7-10(16)5-8(2)14-11/h5,7,9H,3-4,6H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyPUUADDJXSKPWMG-SECBINFHSA-N
XLogP1.06
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 126425625
3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
CID 122563391
3-[(4-chloro-3-fluorobenzoyl)amino]hexanoic acid
CID 106703685
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
3-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193723
(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
CID 126425811
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid (CID 126449273) is (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid is CCC[C@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1.
What is the InChIKey of (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid?
The InChIKey is PUUADDJXSKPWMG-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-9(6-12(17)18)15-13(19)11-7-10(16)5-8(2)14-11/h5,7,9H,3-4,6H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid?
(3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-methyl-4-oxo-1H-pyridine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 126449273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).