2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid

C14H14N2O3 — CID 104824982

IUPAC2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESCc1ccn(Cc2cccc(N)c2C(=O)O)c(=O)c1
InChIInChI=1S/C14H14N2O3/c1-9-5-6-16(12(17)7-9)8-10-3-2-4-11(15)13(10)14(18)19/h2-7H,8,15H2,1H3,(H,18,19)
InChIKeyRIDAWTWBCIEXID-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid

2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid (PubChem CID 104824982) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
PubChem CID104824982
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESCc1ccn(Cc2cccc(N)c2C(=O)O)c(=O)c1
InChIInChI=1S/C14H14N2O3/c1-9-5-6-16(12(17)7-9)8-10-3-2-4-11(15)13(10)14(18)19/h2-7H,8,15H2,1H3,(H,18,19)
InChIKeyRIDAWTWBCIEXID-UHFFFAOYSA-N
XLogP1.49
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid (CID 104824982) is 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid is Cc1ccn(Cc2cccc(N)c2C(=O)O)c(=O)c1.
What is the InChIKey of 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid?
The InChIKey is RIDAWTWBCIEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-5-6-16(12(17)7-9)8-10-3-2-4-11(15)13(10)14(18)19/h2-7H,8,15H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid?
2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 104824982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).