2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone

C22H21N3O2 — CID 58585937

IUPAC2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
SMILESO=C(Cc1ccnc(-c2ccc(N3CCOCC3)cc2)c1)c1ccccn1
InChIInChI=1S/C22H21N3O2/c26-22(20-3-1-2-9-23-20)16-17-8-10-24-21(15-17)18-4-6-19(7-5-18)25-11-13-27-14-12-25/h1-10,15H,11-14,16H2
InChIKeySODXMQNNOKADLX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone

2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone (PubChem CID 58585937) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
PubChem CID58585937
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
SMILESO=C(Cc1ccnc(-c2ccc(N3CCOCC3)cc2)c1)c1ccccn1
InChIInChI=1S/C22H21N3O2/c26-22(20-3-1-2-9-23-20)16-17-8-10-24-21(15-17)18-4-6-19(7-5-18)25-11-13-27-14-12-25/h1-10,15H,11-14,16H2
InChIKeySODXMQNNOKADLX-UHFFFAOYSA-N
XLogP3.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-pyridin-2-ylethanone
CID 58207077
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
CID 142527683
3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
CID 143103213
4-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 167849051
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
CID 117078785
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone (CID 58585937) is 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone is O=C(Cc1ccnc(-c2ccc(N3CCOCC3)cc2)c1)c1ccccn1.
What is the InChIKey of 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The InChIKey is SODXMQNNOKADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(20-3-1-2-9-23-20)16-17-8-10-24-21(15-17)18-4-6-19(7-5-18)25-11-13-27-14-12-25/h1-10,15H,11-14,16H2.
What are the key properties of 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone has a molecular weight of 359.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 58585937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).