(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid

C13H16ClN3O3 — CID 99718166

IUPAC(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCNc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O3/c1-15-11-6-9(5-10(14)16-11)12(18)17-4-2-3-8(7-17)13(19)20/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyYLUNZVWKHZFOPS-MRVPVSSYSA-N
MW297.74 g/mol
LogP1.71
Rot. Bonds3

About (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid

(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 99718166) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID99718166
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
SMILESCNc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O3/c1-15-11-6-9(5-10(14)16-11)12(18)17-4-2-3-8(7-17)13(19)20/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyYLUNZVWKHZFOPS-MRVPVSSYSA-N
XLogP1.71
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
CID 75469364
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
(3S)-1-(2-chloro-6-methylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 114219391
[1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953552
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid (CID 99718166) is (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid is CNc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Cl)n1.
What is the InChIKey of (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is YLUNZVWKHZFOPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-15-11-6-9(5-10(14)16-11)12(18)17-4-2-3-8(7-17)13(19)20/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1.
What are the key properties of (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid?
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99718166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).