6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid

C14H13N3O4 — CID 155126357

IUPAC6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C14H13N3O4/c18-13(19)11-5-1-3-9(16-11)7-15-8-10-4-2-6-12(17-10)14(20)21/h1-6,15H,7-8H2,(H,18,19)(H,20,21)
InChIKeySYOCWEPDALCKLF-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.16
Rot. Bonds6

About 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 155126357) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID155126357
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C14H13N3O4/c18-13(19)11-5-1-3-9(16-11)7-15-8-10-4-2-6-12(17-10)14(20)21/h1-6,15H,7-8H2,(H,18,19)(H,20,21)
InChIKeySYOCWEPDALCKLF-UHFFFAOYSA-N
XLogP1.16
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid (CID 155126357) is 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is SYOCWEPDALCKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(19)11-5-1-3-9(16-11)7-15-8-10-4-2-6-12(17-10)14(20)21/h1-6,15H,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-carboxy-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155126357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).