N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide

C21H25N3O4 — CID 67241915

IUPACN-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C21H25N3O4/c25-21(16-3-6-20(23-13-16)28-18-7-10-26-11-8-18)24-17-4-1-15(2-5-17)19-14-22-9-12-27-19/h1-6,13,18-19,22H,7-12,14H2,(H,24,25)
InChIKeyQQEILOVPMZATIW-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.55
Rot. Bonds5

About N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide

N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide (PubChem CID 67241915) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide
PubChem CID67241915
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C21H25N3O4/c25-21(16-3-6-20(23-13-16)28-18-7-10-26-11-8-18)24-17-4-1-15(2-5-17)19-14-22-9-12-27-19/h1-6,13,18-19,22H,7-12,14H2,(H,24,25)
InChIKeyQQEILOVPMZATIW-UHFFFAOYSA-N
XLogP2.55
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide (CID 67241915) is N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OC2CCOCC2)nc1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide?
The InChIKey is QQEILOVPMZATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(16-3-6-20(23-13-16)28-18-7-10-26-11-8-18)24-17-4-1-15(2-5-17)19-14-22-9-12-27-19/h1-6,13,18-19,22H,7-12,14H2,(H,24,25).
What are the key properties of N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 67241915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).