3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide

C16H21N3O3 — CID 91761664

IUPAC3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncccc1O
InChIInChI=1S/C16H21N3O3/c20-11-4-3-6-17-13(11)16(21)18-12-10-5-9-22-15(10)14(12)19-7-1-2-8-19/h3-4,6,10,12,14-15,20H,1-2,5,7-9H2,(H,18,21)/t10-,12+,14-,15-/m1/s1
InChIKeyZLPUNWPUXBWSLN-DZGBDDFRSA-N
MW303.36 g/mol
LogP0.77
Rot. Bonds3

About 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide

3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide (PubChem CID 91761664) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
PubChem CID91761664
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncccc1O
InChIInChI=1S/C16H21N3O3/c20-11-4-3-6-17-13(11)16(21)18-12-10-5-9-22-15(10)14(12)19-7-1-2-8-19/h3-4,6,10,12,14-15,20H,1-2,5,7-9H2,(H,18,21)/t10-,12+,14-,15-/m1/s1
InChIKeyZLPUNWPUXBWSLN-DZGBDDFRSA-N
XLogP0.77
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 91774100
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
CID 91775118
N-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-hydroxypyridine-2-carboxamide
CID 100910792
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076
4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
CID 91796653
3-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767212
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
CID 91781950
1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
CID 91779580
3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91778198
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
3-hydroxy-N-(thian-4-yl)pyridine-2-carboxamide
CID 115603686
N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide (CID 91761664) is 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide is O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide?
The InChIKey is ZLPUNWPUXBWSLN-DZGBDDFRSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-11-4-3-6-17-13(11)16(21)18-12-10-5-9-22-15(10)14(12)19-7-1-2-8-19/h3-4,6,10,12,14-15,20H,1-2,5,7-9H2,(H,18,21)/t10-,12+,14-,15-/m1/s1.
What are the key properties of 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide?
3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91761664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).