3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid

C14H19N3O4 — CID 107228275

IUPAC3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H19N3O4/c18-8-5-10-3-2-7-17(9-10)14(21)16-11-4-1-6-15-12(11)13(19)20/h1,4,6,10,18H,2-3,5,7-9H2,(H,16,21)(H,19,20)
InChIKeyPSWGGBJYFDFKKR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.41
Rot. Bonds4

About 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid

3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 107228275) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID107228275
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H19N3O4/c18-8-5-10-3-2-7-17(9-10)14(21)16-11-4-1-6-15-12(11)13(19)20/h1,4,6,10,18H,2-3,5,7-9H2,(H,16,21)(H,19,20)
InChIKeyPSWGGBJYFDFKKR-UHFFFAOYSA-N
XLogP1.41
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 146641878
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid (CID 107228275) is 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ncccc1NC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is PSWGGBJYFDFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-8-5-10-3-2-7-17(9-10)14(21)16-11-4-1-6-15-12(11)13(19)20/h1,4,6,10,18H,2-3,5,7-9H2,(H,16,21)(H,19,20).
What are the key properties of 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid?
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107228275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).