methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate

C18H21N7O2 — CID 42610235

IUPACmethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1CCN(C)CC1
InChIInChI=1S/C18H21N7O2/c1-25-5-3-12(4-6-25)23-15-7-16(22-10-14(15)18(26)27-2)24-17-11-20-13(8-19)9-21-17/h7,9-12H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyVWCOELSGXGLYKL-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.78
Rot. Bonds5

About methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate

methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate (PubChem CID 42610235) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate
PubChem CID42610235
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1CCN(C)CC1
InChIInChI=1S/C18H21N7O2/c1-25-5-3-12(4-6-25)23-15-7-16(22-10-14(15)18(26)27-2)24-17-11-20-13(8-19)9-21-17/h7,9-12H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyVWCOELSGXGLYKL-UHFFFAOYSA-N
XLogP1.78
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-[(5-cyanopyrazin-2-yl)amino]pyridine-3-carboxylate
CID 59613408
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridine-3-carboxylate
CID 59613504
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
Methyl 6-((5-cyanopyrazin-2-yl)amino)-4-((piperidin-4-ylmethyl)amino)nicotinate
CID 42610232
Methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate
CID 42610237
Methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
CID 59613404
Methyl 6-((5-cyanopyrazin-2-yl)amino)-4-((morpholin-2-ylmethyl)amino)nicotinate
CID 59613490
6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613528
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]pyridine-3-carboxylate
CID 66746486
methyl 6-[[5-cyano-6-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate
CID 71452204
methyl 6-[[5-cyano-6-[(3R)-pyrrolidin-3-yl]oxypyrazin-2-yl]amino]-4-(methylamino)pyridine-3-carboxylate
CID 71461172

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate (CID 42610235) is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate is COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1CCN(C)CC1.
What is the InChIKey of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate?
The InChIKey is VWCOELSGXGLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-25-5-3-12(4-6-25)23-15-7-16(22-10-14(15)18(26)27-2)24-17-11-20-13(8-19)9-21-17/h7,9-12H,3-6H2,1-2H3,(H2,21,22,23,24).
What are the key properties of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate?
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 42610235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).