2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile

C15H22N4O — CID 22110783

IUPAC2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)CN1CCOC(CNc2ncccc2C#N)C1
InChIInChI=1S/C15H22N4O/c1-12(2)10-19-6-7-20-14(11-19)9-18-15-13(8-16)4-3-5-17-15/h3-5,12,14H,6-7,9-11H2,1-2H3,(H,17,18)
InChIKeyKDLKNRONKZQPBN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.72
Rot. Bonds5

About 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile

2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 22110783) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
PubChem CID22110783
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)CN1CCOC(CNc2ncccc2C#N)C1
InChIInChI=1S/C15H22N4O/c1-12(2)10-19-6-7-20-14(11-19)9-18-15-13(8-16)4-3-5-17-15/h3-5,12,14H,6-7,9-11H2,1-2H3,(H,17,18)
InChIKeyKDLKNRONKZQPBN-UHFFFAOYSA-N
XLogP1.72
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile (CID 22110783) is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile is CC(C)CN1CCOC(CNc2ncccc2C#N)C1.
What is the InChIKey of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is KDLKNRONKZQPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)10-19-6-7-20-14(11-19)9-18-15-13(8-16)4-3-5-17-15/h3-5,12,14H,6-7,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile?
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 22110783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).