2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid

C12H17N3O3 — CID 114195487

IUPAC2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid
SMILESCC1CC(Nc2cnc(N)cc2C(=O)O)CCO1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(2-3-18-7)15-10-6-14-11(13)5-9(10)12(16)17/h5-8,15H,2-4H2,1H3,(H2,13,14)(H,16,17)
InChIKeyNSPWWSCIZQSRRJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid

2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114195487) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID114195487
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid
SMILESCC1CC(Nc2cnc(N)cc2C(=O)O)CCO1
InChIInChI=1S/C12H17N3O3/c1-7-4-8(2-3-18-7)15-10-6-14-11(13)5-9(10)12(16)17/h5-8,15H,2-4H2,1H3,(H2,13,14)(H,16,17)
InChIKeyNSPWWSCIZQSRRJ-UHFFFAOYSA-N
XLogP1.34
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid (CID 114195487) is 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid is CC1CC(Nc2cnc(N)cc2C(=O)O)CCO1.
What is the InChIKey of 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is NSPWWSCIZQSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-4-8(2-3-18-7)15-10-6-14-11(13)5-9(10)12(16)17/h5-8,15H,2-4H2,1H3,(H2,13,14)(H,16,17).
What are the key properties of 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid?
2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).