4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile

C24H21N3O3 — CID 171142054

IUPAC4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCOC(COc3ccccn3)C2c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c25-16-18-9-11-20(12-10-18)24(28)27-14-15-29-21(17-30-22-8-4-5-13-26-22)23(27)19-6-2-1-3-7-19/h1-13,21,23H,14-15,17H2
InChIKeySBNHTXRHHROBSA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.61
Rot. Bonds5

About 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile

4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile (PubChem CID 171142054) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile
PubChem CID171142054
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCOC(COc3ccccn3)C2c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c25-16-18-9-11-20(12-10-18)24(28)27-14-15-29-21(17-30-22-8-4-5-13-26-22)23(27)19-6-2-1-3-7-19/h1-13,21,23H,14-15,17H2
InChIKeySBNHTXRHHROBSA-UHFFFAOYSA-N
XLogP3.61
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155506426
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
[(4aS,6S,7aR)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(furan-3-yl)methanone
CID 97378238
[(4aS,6R,7aR)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridin-2-ylmethanone
CID 124790230
3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile
CID 110740315
[4-(2-aminoethyl)phenyl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155498735
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 134710467
2-(1,3-dioxolan-2-ylmethoxy)pyridine
CID 69476681
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134705844
4-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)benzonitrile
CID 25217360

Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile?
The IUPAC name of 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile (CID 171142054) is 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCOC(COc3ccccn3)C2c2ccccc2)cc1.
What is the InChIKey of 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile?
The InChIKey is SBNHTXRHHROBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-16-18-9-11-20(12-10-18)24(28)27-14-15-29-21(17-30-22-8-4-5-13-26-22)23(27)19-6-2-1-3-7-19/h1-13,21,23H,14-15,17H2.
What are the key properties of 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile?
4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile has a molecular weight of 399.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-2-(pyridin-2-yloxymethyl)morpholine-4-carbonyl]benzonitrile is sourced from PubChem (CID 171142054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).