6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid

C11H13N3O4 — CID 61320227

IUPAC6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O4/c1-7(15)14(2)6-10(16)13-9-4-3-8(5-12-9)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,12,13,16)
InChIKeyNXNYHSHEUNVJGM-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.20
Rot. Bonds4

About 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid

6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 61320227) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
PubChem CID61320227
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O4/c1-7(15)14(2)6-10(16)13-9-4-3-8(5-12-9)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,12,13,16)
InChIKeyNXNYHSHEUNVJGM-UHFFFAOYSA-N
XLogP0.20
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid (CID 61320227) is 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid is CC(=O)N(C)CC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NXNYHSHEUNVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7(15)14(2)6-10(16)13-9-4-3-8(5-12-9)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,12,13,16).
What are the key properties of 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid?
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61320227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).