6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid

C15H16N4O4 — CID 67372478

IUPAC6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid
SMILESNCC(N)C(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N4O4/c16-7-8(17)13(9-3-1-5-11(18-9)14(20)21)10-4-2-6-12(19-10)15(22)23/h1-6,8,13H,7,16-17H2,(H,20,21)(H,22,23)
InChIKeyLZYLJKAFEMQRNM-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.29
Rot. Bonds6

About 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid

6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid (PubChem CID 67372478) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid
PubChem CID67372478
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid
SMILESNCC(N)C(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N4O4/c16-7-8(17)13(9-3-1-5-11(18-9)14(20)21)10-4-2-6-12(19-10)15(22)23/h1-6,8,13H,7,16-17H2,(H,20,21)(H,22,23)
InChIKeyLZYLJKAFEMQRNM-UHFFFAOYSA-N
XLogP0.29
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid (CID 67372478) is 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid is NCC(N)C(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid?
The InChIKey is LZYLJKAFEMQRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c16-7-8(17)13(9-3-1-5-11(18-9)14(20)21)10-4-2-6-12(19-10)15(22)23/h1-6,8,13H,7,16-17H2,(H,20,21)(H,22,23).
What are the key properties of 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid?
6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67372478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).