5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid

C12H17N3O2 — CID 114405528

IUPAC5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCC(C1CC1)N(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H17N3O2/c1-7(8-3-4-8)15(2)11-9(13)5-6-10(14-11)12(16)17/h5-8H,3-4,13H2,1-2H3,(H,16,17)
InChIKeyXWCZXVKTFWNKPM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.60
Rot. Bonds4

About 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid

5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 114405528) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID114405528
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCC(C1CC1)N(C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H17N3O2/c1-7(8-3-4-8)15(2)11-9(13)5-6-10(14-11)12(16)17/h5-8H,3-4,13H2,1-2H3,(H,16,17)
InChIKeyXWCZXVKTFWNKPM-UHFFFAOYSA-N
XLogP1.60
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carboxylic acid
CID 80516594
5-amino-6-[cyclopropyl(methyl)amino]pyridine-2-carboxamide
CID 114405386
5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 114405515
2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553650
4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 43569490
5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide
CID 114405541
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
5-amino-6-[cyclopentyl(methyl)amino]pyridine-2-carboxamide
CID 114405392
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
5-amino-6-(4-methoxy-N-methylanilino)pyridine-2-carboxylic acid
CID 114406275

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid (CID 114405528) is 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid is CC(C1CC1)N(C)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is XWCZXVKTFWNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(8-3-4-8)15(2)11-9(13)5-6-10(14-11)12(16)17/h5-8H,3-4,13H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).