5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid

C13H21N3O2 — CID 81439115

IUPAC5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(c1ncc(C(=O)O)cc1N)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)7-16(9(3)4)12-11(14)5-10(6-15-12)13(17)18/h5-6,8-9H,7,14H2,1-4H3,(H,17,18)
InChIKeyNRHWPXVWTHUXIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds5

About 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid

5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 81439115) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID81439115
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(c1ncc(C(=O)O)cc1N)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)7-16(9(3)4)12-11(14)5-10(6-15-12)13(17)18/h5-6,8-9H,7,14H2,1-4H3,(H,17,18)
InChIKeyNRHWPXVWTHUXIM-UHFFFAOYSA-N
XLogP2.23
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid (CID 81439115) is 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid is CC(C)CN(c1ncc(C(=O)O)cc1N)C(C)C.
What is the InChIKey of 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is NRHWPXVWTHUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)7-16(9(3)4)12-11(14)5-10(6-15-12)13(17)18/h5-6,8-9H,7,14H2,1-4H3,(H,17,18).
What are the key properties of 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).