methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate

C18H23N7O3 — CID 71452204

IUPACmethyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC
InChIInChI=1S/C18H23N7O3/c1-11(10-25(3)4)28-17-14(7-19)21-9-16(24-17)23-15-6-13(20-2)12(8-22-15)18(26)27-5/h6,8-9,11H,10H2,1-5H3,(H2,20,22,23,24)/t11-/m1/s1
InChIKeyYKAGGFFRPFADFJ-LLVKDONJSA-N
MW385.43 g/mol
LogP1.64
Rot. Bonds8

About methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate

methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate (PubChem CID 71452204) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate
PubChem CID71452204
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Namemethyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC
InChIInChI=1S/C18H23N7O3/c1-11(10-25(3)4)28-17-14(7-19)21-9-16(24-17)23-15-6-13(20-2)12(8-22-15)18(26)27-5/h6,8-9,11H,10H2,1-5H3,(H2,20,22,23,24)/t11-/m1/s1
InChIKeyYKAGGFFRPFADFJ-LLVKDONJSA-N
XLogP1.64
TPSA125.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate (CID 71452204) is methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate is CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC.
What is the InChIKey of methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate?
The InChIKey is YKAGGFFRPFADFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-11(10-25(3)4)28-17-14(7-19)21-9-16(24-17)23-15-6-13(20-2)12(8-22-15)18(26)27-5/h6,8-9,11H,10H2,1-5H3,(H2,20,22,23,24)/t11-/m1/s1.
What are the key properties of methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate?
methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate has a molecular weight of 385.43 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 71452204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).