(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C16H23N3O3 — CID 124739174

IUPAC(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncccc1O)[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C16H23N3O3/c20-15-4-1-7-17-13(15)11-18-16(21)14-3-2-8-19(14)12-5-9-22-10-6-12/h1,4,7,12,14,20H,2-3,5-6,8-11H2,(H,18,21)/t14-/m1/s1
InChIKeySEILELHLZHRDSG-CQSZACIVSA-N
MW305.38 g/mol
LogP1.05
Rot. Bonds4

About (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 124739174) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID124739174
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncccc1O)[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C16H23N3O3/c20-15-4-1-7-17-13(15)11-18-16(21)14-3-2-8-19(14)12-5-9-22-10-6-12/h1,4,7,12,14,20H,2-3,5-6,8-11H2,(H,18,21)/t14-/m1/s1
InChIKeySEILELHLZHRDSG-CQSZACIVSA-N
XLogP1.05
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579
(2R)-N'-(4-ethoxybenzoyl)-1-(oxan-4-yl)pyrrolidine-2-carbohydrazide
CID 97101186
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 55609235
(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97204559
1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72914125
N-(2-pyridin-2-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 126830265
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 118795564
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]oxane-4-carboxamide
CID 121198919
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90567826

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 124739174) is (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(NCc1ncccc1O)[C@H]1CCCN1C1CCOCC1.
What is the InChIKey of (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is SEILELHLZHRDSG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-4-1-7-17-13(15)11-18-16(21)14-3-2-8-19(14)12-5-9-22-10-6-12/h1,4,7,12,14,20H,2-3,5-6,8-11H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124739174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).