5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid

C14H22N4O2 — CID 114406421

IUPAC5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)CN1CCN(c2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-17-5-7-18(8-6-17)13-11(15)3-4-12(16-13)14(19)20/h3-4,10H,5-9,15H2,1-2H3,(H,19,20)
InChIKeyTVLFLGHZFQEGDI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid

5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 114406421) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID114406421
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)CN1CCN(c2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-17-5-7-18(8-6-17)13-11(15)3-4-12(16-13)14(19)20/h3-4,10H,5-9,15H2,1-2H3,(H,19,20)
InChIKeyTVLFLGHZFQEGDI-UHFFFAOYSA-N
XLogP1.14
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 114406421) is 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid is CC(C)CN1CCN(c2nc(C(=O)O)ccc2N)CC1.
What is the InChIKey of 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is TVLFLGHZFQEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)9-17-5-7-18(8-6-17)13-11(15)3-4-12(16-13)14(19)20/h3-4,10H,5-9,15H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid?
5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).