2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide

C21H20N4O3 — CID 70679357

IUPAC2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26)
InChIKeyDLOAYIHJIDPKJJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.36
Rot. Bonds5

About 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide

2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 70679357) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide
PubChem CID70679357
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26)
InChIKeyDLOAYIHJIDPKJJ-UHFFFAOYSA-N
XLogP3.36
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide (CID 70679357) is 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is DLOAYIHJIDPKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26).
What are the key properties of 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide?
2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(4-pyridin-4-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 70679357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).