5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid

C12H16N2O3 — CID 756904

IUPAC5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1cc(C)nc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyIIRKQCNRPPCLSG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.89
Rot. Bonds5

About 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 756904) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID756904
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESCc1cc(C)nc(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyIIRKQCNRPPCLSG-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid (CID 756904) is 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid is Cc1cc(C)nc(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is IIRKQCNRPPCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 756904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).