3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile

C16H22F2N4O2 — CID 143921946

IUPAC3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESCCCNCC1CN(c2cnc(C#N)c(OC(F)F)c2)CC(C)O1
InChIInChI=1S/C16H22F2N4O2/c1-3-4-20-8-13-10-22(9-11(2)23-13)12-5-15(24-16(17)18)14(6-19)21-7-12/h5,7,11,13,16,20H,3-4,8-10H2,1-2H3
InChIKeyOEJPKFDSYQWWTQ-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.15
Rot. Bonds7

About 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile

3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile (PubChem CID 143921946) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile
PubChem CID143921946
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESCCCNCC1CN(c2cnc(C#N)c(OC(F)F)c2)CC(C)O1
InChIInChI=1S/C16H22F2N4O2/c1-3-4-20-8-13-10-22(9-11(2)23-13)12-5-15(24-16(17)18)14(6-19)21-7-12/h5,7,11,13,16,20H,3-4,8-10H2,1-2H3
InChIKeyOEJPKFDSYQWWTQ-UHFFFAOYSA-N
XLogP2.15
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile (CID 143921946) is 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile is CCCNCC1CN(c2cnc(C#N)c(OC(F)F)c2)CC(C)O1.
What is the InChIKey of 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The InChIKey is OEJPKFDSYQWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-3-4-20-8-13-10-22(9-11(2)23-13)12-5-15(24-16(17)18)14(6-19)21-7-12/h5,7,11,13,16,20H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile?
3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile has a molecular weight of 340.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[2-methyl-6-(propylaminomethyl)morpholin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 143921946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).