5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide

C14H16N4O2 — CID 131731838

IUPAC5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccnn2C2CCCCO2)c1
InChIInChI=1S/C14H16N4O2/c15-14(19)11-7-10(8-16-9-11)12-4-5-17-18(12)13-3-1-2-6-20-13/h4-5,7-9,13H,1-3,6H2,(H2,15,19)
InChIKeyCOLGMNPPORRUIJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.74
Rot. Bonds3

About 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide

5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 131731838) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID131731838
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2ccnn2C2CCCCO2)c1
InChIInChI=1S/C14H16N4O2/c15-14(19)11-7-10(8-16-9-11)12-4-5-17-18(12)13-3-1-2-6-20-13/h4-5,7-9,13H,1-3,6H2,(H2,15,19)
InChIKeyCOLGMNPPORRUIJ-UHFFFAOYSA-N
XLogP1.74
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide (CID 131731838) is 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2ccnn2C2CCCCO2)c1.
What is the InChIKey of 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is COLGMNPPORRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14(19)11-7-10(8-16-9-11)12-4-5-17-18(12)13-3-1-2-6-20-13/h4-5,7-9,13H,1-3,6H2,(H2,15,19).
What are the key properties of 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide?
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131731838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).