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

C13H21N3O2 — CID 114194989

IUPAC2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CC(C)N(C)c1cnc(N)cc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-8(2)5-9(3)16(4)11-7-15-12(14)6-10(11)13(17)18/h6-9H,5H2,1-4H3,(H2,14,15)(H,17,18)
InChIKeyQRWWJYFOCOVMME-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds5

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

2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114194989) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID114194989
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CC(C)N(C)c1cnc(N)cc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-8(2)5-9(3)16(4)11-7-15-12(14)6-10(11)13(17)18/h6-9H,5H2,1-4H3,(H2,14,15)(H,17,18)
InChIKeyQRWWJYFOCOVMME-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 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid (CID 114194989) is 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid is CC(C)CC(C)N(C)c1cnc(N)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is QRWWJYFOCOVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)5-9(3)16(4)11-7-15-12(14)6-10(11)13(17)18/h6-9H,5H2,1-4H3,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid?
2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-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 2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114194989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).