6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide

C13H14N4O3 — CID 97427967

IUPAC6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H14N4O3/c18-12-2-1-9(5-14-12)13(19)16-10-6-15-17(7-10)11-3-4-20-8-11/h1-2,5-7,11H,3-4,8H2,(H,14,18)(H,16,19)/t11-/m1/s1
InChIKeyKBFHLWCTTBQZKX-LLVKDONJSA-N
MW274.28 g/mol
LogP0.79
Rot. Bonds3

About 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 97427967) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
PubChem CID97427967
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H14N4O3/c18-12-2-1-9(5-14-12)13(19)16-10-6-15-17(7-10)11-3-4-20-8-11/h1-2,5-7,11H,3-4,8H2,(H,14,18)(H,16,19)/t11-/m1/s1
InChIKeyKBFHLWCTTBQZKX-LLVKDONJSA-N
XLogP0.79
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide (CID 97427967) is 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide is O=C(Nc1cnn([C@@H]2CCOC2)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is KBFHLWCTTBQZKX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12-2-1-9(5-14-12)13(19)16-10-6-15-17(7-10)11-3-4-20-8-11/h1-2,5-7,11H,3-4,8H2,(H,14,18)(H,16,19)/t11-/m1/s1.
What are the key properties of 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97427967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).