3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C16H21N7O — CID 71457583

About 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 71457583) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 71457583
• Molecular Formula: C16H21N7O
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.18
• IUPAC Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• SMILES: CNc1ccnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)c1
• InChI: InChI=1S/C16H21N7O/c1-11(10-23(3)4)24-16-13(8-17)20-9-15(22-16)21-14-7-12(18-2)5-6-19-14/h5-7,9,11H,10H2,1-4H3,(H2,18,19,21,22)/t11-/m1/s1
• InChIKey: SIMIJFXHWJHJLE-LLVKDONJSA-N
• XLogP: 1.86
• TPSA: 98.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 71457583) is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is CNc1ccnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)c1.

What is the InChIKey of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The InChIKey is SIMIJFXHWJHJLE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11(10-23(3)4)24-16-13(8-17)20-9-15(22-16)21-14-7-12(18-2)5-6-19-14/h5-7,9,11H,10H2,1-4H3,(H2,18,19,21,22)/t11-/m1/s1.

What are the key properties of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71457583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).