2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid

C14H19N3O3 — CID 63615245

IUPAC2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-16(2)10-5-8-17(9-6-10)13(18)12-11(14(19)20)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeySNNCRICPRFRVMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid

2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 63615245) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID63615245
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-16(2)10-5-8-17(9-6-10)13(18)12-11(14(19)20)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeySNNCRICPRFRVMM-UHFFFAOYSA-N
XLogP0.95
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid
CID 63764553
2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 102743092
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 103890281

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid (CID 63615245) is 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid is CN(C)C1CCN(C(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is SNNCRICPRFRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(2)10-5-8-17(9-6-10)13(18)12-11(14(19)20)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).