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

C16H21N3O3 — CID 91775118

IUPAC6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C16H21N3O3/c20-12-5-3-4-11(17-12)16(21)18-13-10-6-9-22-15(10)14(13)19-7-1-2-8-19/h3-5,10,13-15H,1-2,6-9H2,(H,17,20)(H,18,21)/t10-,13+,14-,15-/m1/s1
InChIKeyAQWGIEZGPZBWQO-AQNFWKISSA-N
MW303.36 g/mol
LogP0.36
Rot. Bonds3

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

6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide (PubChem CID 91775118) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
PubChem CID91775118
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C16H21N3O3/c20-12-5-3-4-11(17-12)16(21)18-13-10-6-9-22-15(10)14(13)19-7-1-2-8-19/h3-5,10,13-15H,1-2,6-9H2,(H,17,20)(H,18,21)/t10-,13+,14-,15-/m1/s1
InChIKeyAQWGIEZGPZBWQO-AQNFWKISSA-N
XLogP0.36
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide?
The IUPAC name of 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) is 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide is O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide?
The InChIKey is AQWGIEZGPZBWQO-AQNFWKISSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-12-5-3-4-11(17-12)16(21)18-13-10-6-9-22-15(10)14(13)19-7-1-2-8-19/h3-5,10,13-15H,1-2,6-9H2,(H,17,20)(H,18,21)/t10-,13+,14-,15-/m1/s1.
What are the key properties of 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide?
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 91775118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).