[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

C24H21N3O3 — CID 30292906

IUPAC[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESN#Cc1ccccc1-c1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C24H21N3O3/c25-15-20-3-1-2-4-22(20)19-7-5-18(6-8-19)17-30-24(28)21-9-10-23(26-16-21)27-11-13-29-14-12-27/h1-10,16H,11-14,17H2
InChIKeyZXLABDZQICMZTN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.81
Rot. Bonds5

About [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 30292906) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID30292906
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESN#Cc1ccccc1-c1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C24H21N3O3/c25-15-20-3-1-2-4-22(20)19-7-5-18(6-8-19)17-30-24(28)21-9-10-23(26-16-21)27-11-13-29-14-12-27/h1-10,16H,11-14,17H2
InChIKeyZXLABDZQICMZTN-UHFFFAOYSA-N
XLogP3.81
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-cyanophenyl)phenyl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 30290715
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140195
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603556
N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
CID 130196328
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[4-(2-cyanophenyl)phenyl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18229433
[4-(2-cyanophenyl)phenyl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 55512083
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
ethyl 6-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775271
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (CID 30292906) is [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is ZXLABDZQICMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-15-20-3-1-2-4-22(20)19-7-5-18(6-8-19)17-30-24(28)21-9-10-23(26-16-21)27-11-13-29-14-12-27/h1-10,16H,11-14,17H2.
What are the key properties of [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 30292906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).