2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide

C18H17N5O3 — CID 166211395

IUPAC2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C18H17N5O3/c24-18(12-4-7-20-16(9-12)26-13-5-8-25-11-13)22-15-10-21-23-17(15)14-3-1-2-6-19-14/h1-4,6-7,9-10,13H,5,8,11H2,(H,21,23)(H,22,24)
InChIKeyUZQFTSVNWUHRDE-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.29
Rot. Bonds5

About 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide

2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 166211395) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide
PubChem CID166211395
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C18H17N5O3/c24-18(12-4-7-20-16(9-12)26-13-5-8-25-11-13)22-15-10-21-23-17(15)14-3-1-2-6-19-14/h1-4,6-7,9-10,13H,5,8,11H2,(H,21,23)(H,22,24)
InChIKeyUZQFTSVNWUHRDE-UHFFFAOYSA-N
XLogP2.29
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide (CID 166211395) is 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide is O=C(Nc1cn[nH]c1-c1ccccn1)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is UZQFTSVNWUHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(12-4-7-20-16(9-12)26-13-5-8-25-11-13)22-15-10-21-23-17(15)14-3-1-2-6-19-14/h1-4,6-7,9-10,13H,5,8,11H2,(H,21,23)(H,22,24).
What are the key properties of 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166211395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).