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

C13H18N2O4 — CID 43631017

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-5-9(13(18)19)15-12(17)10-7(2)6-8(3)14-11(10)16/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyCPLGZGZOLRTAKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.97
Rot. Bonds5

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 43631017) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID43631017
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-5-9(13(18)19)15-12(17)10-7(2)6-8(3)14-11(10)16/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyCPLGZGZOLRTAKO-UHFFFAOYSA-N
XLogP0.97
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 43631017) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is CCCC(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]pentanoic acid?
The InChIKey is CPLGZGZOLRTAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-5-9(13(18)19)15-12(17)10-7(2)6-8(3)14-11(10)16/h6,9H,4-5H2,1-3H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.97, 5 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]pentanoic acid is sourced from PubChem (CID 43631017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).