5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid

C13H13N3O3 — CID 113321615

IUPAC5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cc(CNc2ccc(C(=O)O)nc2)ccn1
InChIInChI=1S/C13H13N3O3/c1-19-12-6-9(4-5-14-12)7-15-10-2-3-11(13(17)18)16-8-10/h2-6,8,15H,7H2,1H3,(H,17,18)
InChIKeyVYTYTUJGWNASNC-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.80
Rot. Bonds5

About 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid

5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 113321615) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
PubChem CID113321615
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cc(CNc2ccc(C(=O)O)nc2)ccn1
InChIInChI=1S/C13H13N3O3/c1-19-12-6-9(4-5-14-12)7-15-10-2-3-11(13(17)18)16-8-10/h2-6,8,15H,7H2,1H3,(H,17,18)
InChIKeyVYTYTUJGWNASNC-UHFFFAOYSA-N
XLogP1.80
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 62989660
4-bromo-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 114907362
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid (CID 113321615) is 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid is COc1cc(CNc2ccc(C(=O)O)nc2)ccn1.
What is the InChIKey of 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is VYTYTUJGWNASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-12-6-9(4-5-14-12)7-15-10-2-3-11(13(17)18)16-8-10/h2-6,8,15H,7H2,1H3,(H,17,18).
What are the key properties of 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid?
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113321615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).