2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile

C18H22N4 — CID 43823027

IUPAC2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
SMILESCCN(CC)C(CNc1cc(C#N)ccn1)c1ccccc1
InChIInChI=1S/C18H22N4/c1-3-22(4-2)17(16-8-6-5-7-9-16)14-21-18-12-15(13-19)10-11-20-18/h5-12,17H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyBXGJPYYVWHGCTE-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.45
Rot. Bonds7

About 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile

2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile (PubChem CID 43823027) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
PubChem CID43823027
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
SMILESCCN(CC)C(CNc1cc(C#N)ccn1)c1ccccc1
InChIInChI=1S/C18H22N4/c1-3-22(4-2)17(16-8-6-5-7-9-16)14-21-18-12-15(13-19)10-11-20-18/h5-12,17H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyBXGJPYYVWHGCTE-UHFFFAOYSA-N
XLogP3.45
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile (CID 43823027) is 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile is CCN(CC)C(CNc1cc(C#N)ccn1)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile?
The InChIKey is BXGJPYYVWHGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-3-22(4-2)17(16-8-6-5-7-9-16)14-21-18-12-15(13-19)10-11-20-18/h5-12,17H,3-4,14H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile?
2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 43823027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).