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

C11H17N3O2 — CID 81439567

IUPAC5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14(3)10-9(12)4-8(5-13-10)11(15)16/h4-5,7H,6,12H2,1-3H3,(H,15,16)
InChIKeyXYUHGCZEUGWSFI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.45
Rot. Bonds4

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

5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439567) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID81439567
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14(3)10-9(12)4-8(5-13-10)11(15)16/h4-5,7H,6,12H2,1-3H3,(H,15,16)
InChIKeyXYUHGCZEUGWSFI-UHFFFAOYSA-N
XLogP1.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439115
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
5-amino-6-[cyclopropylmethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439216
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
5-amino-6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-3-carboxylic acid
CID 81439016
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439426

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid (CID 81439567) is 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid is CC(C)CN(C)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XYUHGCZEUGWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)6-14(3)10-9(12)4-8(5-13-10)11(15)16/h4-5,7H,6,12H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).