6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile

C17H18N4O — CID 133392611

IUPAC6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile
SMILESCC1CN(c2ccc(Nc3cccc(C#N)n3)cc2)CCO1
InChIInChI=1S/C17H18N4O/c1-13-12-21(9-10-22-13)16-7-5-14(6-8-16)19-17-4-2-3-15(11-18)20-17/h2-8,13H,9-10,12H2,1H3,(H,19,20)
InChIKeyBFFNNDBPBIGZMG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.92
Rot. Bonds3

About 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile

6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile (PubChem CID 133392611) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile
PubChem CID133392611
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile
SMILESCC1CN(c2ccc(Nc3cccc(C#N)n3)cc2)CCO1
InChIInChI=1S/C17H18N4O/c1-13-12-21(9-10-22-13)16-7-5-14(6-8-16)19-17-4-2-3-15(11-18)20-17/h2-8,13H,9-10,12H2,1H3,(H,19,20)
InChIKeyBFFNNDBPBIGZMG-UHFFFAOYSA-N
XLogP2.92
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile (CID 133392611) is 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile is CC1CN(c2ccc(Nc3cccc(C#N)n3)cc2)CCO1.
What is the InChIKey of 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile?
The InChIKey is BFFNNDBPBIGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-12-21(9-10-22-13)16-7-5-14(6-8-16)19-17-4-2-3-15(11-18)20-17/h2-8,13H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile?
6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).