4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile

C20H23N3O — CID 56719645

IUPAC4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-c2ccc(C(C)N3CCOCC3)cc2)n1
InChIInChI=1S/C20H23N3O/c1-14-12-15(2)22-20(19(14)13-21)18-6-4-17(5-7-18)16(3)23-8-10-24-11-9-23/h4-7,12,16H,8-11H2,1-3H3
InChIKeyFPGFLYJWWHBLQM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.63
Rot. Bonds3

About 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile

4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 56719645) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile
PubChem CID56719645
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-c2ccc(C(C)N3CCOCC3)cc2)n1
InChIInChI=1S/C20H23N3O/c1-14-12-15(2)22-20(19(14)13-21)18-6-4-17(5-7-18)16(3)23-8-10-24-11-9-23/h4-7,12,16H,8-11H2,1-3H3
InChIKeyFPGFLYJWWHBLQM-UHFFFAOYSA-N
XLogP3.63
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile (CID 56719645) is 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(-c2ccc(C(C)N3CCOCC3)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is FPGFLYJWWHBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-12-15(2)22-20(19(14)13-21)18-6-4-17(5-7-18)16(3)23-8-10-24-11-9-23/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(1-morpholin-4-ylethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56719645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).