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

C19H25N7O — CID 71461218

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

5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile (PubChem CID 71461218) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
• PubChem CID: 71461218
• Molecular Formula: C19H25N7O
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.21
• IUPAC Name: 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
• SMILES: CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C1CC1
• InChI: InChI=1S/C19H25N7O/c1-12(11-26(3)4)27-19-16(8-20)22-10-18(25-19)24-17-7-15(21-2)14(9-23-17)13-5-6-13/h7,9-10,12-13H,5-6,11H2,1-4H3,(H2,21,23,24,25)/t12-/m1/s1
• InChIKey: CDRJFYVQRUTQKD-GFCCVEGCSA-N
• XLogP: 2.73
• TPSA: 98.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile (CID 71461218) is 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile.

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

The canonical SMILES for 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile is CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C1CC1.

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

The InChIKey is CDRJFYVQRUTQKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12(11-26(3)4)27-19-16(8-20)22-10-18(25-19)24-17-7-15(21-2)14(9-23-17)13-5-6-13/h7,9-10,12-13H,5-6,11H2,1-4H3,(H2,21,23,24,25)/t12-/m1/s1.

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

5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile has a molecular weight of 367.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-cyclopropyl-4-(methylamino)-2-pyridinyl]amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 71461218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).