5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid

C12H15N3O3 — CID 104913917

IUPAC5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C12H15N3O3/c16-11(10-3-1-2-4-14-10)15-9-5-8(12(17)18)6-13-7-9/h5-7,10,14H,1-4H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyRANXIMRRDQIGNZ-SNVBAGLBSA-N
MW249.27 g/mol
LogP0.86
Rot. Bonds3

About 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid

5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 104913917) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID104913917
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C12H15N3O3/c16-11(10-3-1-2-4-14-10)15-9-5-8(12(17)18)6-13-7-9/h5-7,10,14H,1-4H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyRANXIMRRDQIGNZ-SNVBAGLBSA-N
XLogP0.86
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
3-chloro-5-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914413
5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 114428994
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
CID 80594022
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid (CID 104913917) is 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is RANXIMRRDQIGNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(10-3-1-2-4-14-10)15-9-5-8(12(17)18)6-13-7-9/h5-7,10,14H,1-4H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 104913917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).