5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid

C13H20N4O2 — CID 114405515

IUPAC5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1CCN(c2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-16(2)9-5-7-17(8-6-9)12-10(14)3-4-11(15-12)13(18)19/h3-4,9H,5-8,14H2,1-2H3,(H,18,19)
InChIKeyJCOXQIMUCCPTGU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.89
Rot. Bonds3

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

5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 114405515) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID114405515
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1CCN(c2nc(C(=O)O)ccc2N)CC1
InChIInChI=1S/C13H20N4O2/c1-16(2)9-5-7-17(8-6-9)12-10(14)3-4-11(15-12)13(18)19/h3-4,9H,5-8,14H2,1-2H3,(H,18,19)
InChIKeyJCOXQIMUCCPTGU-UHFFFAOYSA-N
XLogP0.89
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 114405514
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 114406547
5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 103537198
5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114407627
5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid
CID 114196709
5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 114406421
5-amino-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 114405623
5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 114082438
5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 114406369
methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406710
6-[4-(dimethylamino)piperidin-1-yl]pyridine-2,3-diamine
CID 67292538
methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406024

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid (CID 114405515) is 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid is CN(C)C1CCN(c2nc(C(=O)O)ccc2N)CC1.
What is the InChIKey of 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is JCOXQIMUCCPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)9-5-7-17(8-6-9)12-10(14)3-4-11(15-12)13(18)19/h3-4,9H,5-8,14H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).