5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid

C10H15N3O2 — CID 82470655

IUPAC5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
SMILESCC(C)CNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6(2)4-12-9-8(10(14)15)3-7(11)5-13-9/h3,5-6H,4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVFXUXYUQWQEEPD-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.43
Rot. Bonds4

About 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid

5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid (PubChem CID 82470655) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
PubChem CID82470655
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
SMILESCC(C)CNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6(2)4-12-9-8(10(14)15)3-7(11)5-13-9/h3,5-6H,4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVFXUXYUQWQEEPD-UHFFFAOYSA-N
XLogP1.43
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-[(2-ethyl-2-methylsulfanylbutyl)amino]pyridine-3-carboxylic acid
CID 114117482
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-amino-2-(4-ethylsulfanylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 114047418
5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid (CID 82470655) is 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid is CC(C)CNc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is VFXUXYUQWQEEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)4-12-9-8(10(14)15)3-7(11)5-13-9/h3,5-6H,4,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid?
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82470655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).