6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide

C20H19N3O3 — CID 91815355

IUPAC6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C20H19N3O3/c24-20(23-18-5-1-4-17-16(18)3-2-10-21-17)14-6-7-19(22-13-14)26-15-8-11-25-12-9-15/h1-7,10,13,15H,8-9,11-12H2,(H,23,24)
InChIKeyMDIMWSARRNTGBP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.44
Rot. Bonds4

About 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide

6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide (PubChem CID 91815355) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide
PubChem CID91815355
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C20H19N3O3/c24-20(23-18-5-1-4-17-16(18)3-2-10-21-17)14-6-7-19(22-13-14)26-15-8-11-25-12-9-15/h1-7,10,13,15H,8-9,11-12H2,(H,23,24)
InChIKeyMDIMWSARRNTGBP-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide?
The IUPAC name of 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide (CID 91815355) is 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide is O=C(Nc1cccc2ncccc12)c1ccc(OC2CCOCC2)nc1.
What is the InChIKey of 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide?
The InChIKey is MDIMWSARRNTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(23-18-5-1-4-17-16(18)3-2-10-21-17)14-6-7-19(22-13-14)26-15-8-11-25-12-9-15/h1-7,10,13,15H,8-9,11-12H2,(H,23,24).
What are the key properties of 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide?
6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yloxy)-N-quinolin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 91815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).