5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile

C23H21N3O — CID 59338811

IUPAC5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3
InChIKeyKYHMVWLGXSLNPQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.43
Rot. Bonds3

About 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile

5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile (PubChem CID 59338811) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
PubChem CID59338811
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3
InChIKeyKYHMVWLGXSLNPQ-UHFFFAOYSA-N
XLogP4.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile (CID 59338811) is 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile is Cc1ccc(-c2cc(C#N)c(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile?
The InChIKey is KYHMVWLGXSLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17-7-9-18(10-8-17)21-15-20(16-24)23(26-11-13-27-14-12-26)25-22(21)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile?
5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 59338811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).