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4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

C18H21N5O4 — CID 122256976

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3cnn4c3OCCC4)C2)ccn1
InChIInChI=1S/C18H21N5O4/c19-16(24)15-9-12(4-5-20-15)27-13-3-1-6-22(11-13)17(25)14-10-21-23-7-2-8-26-18(14)23/h4-5,9-10,13H,1-3,6-8,11H2,(H2,19,24)
InChIKeyAWYDVBCEBWYGMH-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.84
Rot. Bonds4

About 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256976) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256976
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3cnn4c3OCCC4)C2)ccn1
InChIInChI=1S/C18H21N5O4/c19-16(24)15-9-12(4-5-20-15)27-13-3-1-6-22(11-13)17(25)14-10-21-23-7-2-8-26-18(14)23/h4-5,9-10,13H,1-3,6-8,11H2,(H2,19,24)
InChIKeyAWYDVBCEBWYGMH-UHFFFAOYSA-N
XLogP0.84
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256976) is 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCCN(C(=O)c3cnn4c3OCCC4)C2)ccn1.
What is the InChIKey of 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is AWYDVBCEBWYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c19-16(24)15-9-12(4-5-20-15)27-13-3-1-6-22(11-13)17(25)14-10-21-23-7-2-8-26-18(14)23/h4-5,9-10,13H,1-3,6-8,11H2,(H2,19,24).
What are the key properties of 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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