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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Related Compounds

5-amino-3-chloro-2-[methyl(4-methylpentan-2-yl)amino]benzoic acid
CID 107195327
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
CID 114194852
2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053146
2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114195177
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
CID 55269278
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159

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).