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

C19H23N7O2 — CID 59613404

IUPACmethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C)CC1
InChIInChI=1S/C19H23N7O2/c1-26-5-3-13(4-6-26)9-22-16-7-17(24-11-15(16)19(27)28-2)25-18-12-21-14(8-20)10-23-18/h7,10-13H,3-6,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyNBXASWVFBAUSQM-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.03
Rot. Bonds6

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

methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 59613404) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID59613404
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C)CC1
InChIInChI=1S/C19H23N7O2/c1-26-5-3-13(4-6-26)9-22-16-7-17(24-11-15(16)19(27)28-2)25-18-12-21-14(8-20)10-23-18/h7,10-13H,3-6,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyNBXASWVFBAUSQM-UHFFFAOYSA-N
XLogP2.03
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate (CID 59613404) is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate is COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C)CC1.
What is the InChIKey of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is NBXASWVFBAUSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-26-5-3-13(4-6-26)9-22-16-7-17(24-11-15(16)19(27)28-2)25-18-12-21-14(8-20)10-23-18/h7,10-13H,3-6,9H2,1-2H3,(H2,22,23,24,25).
What are the key properties of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.03, 6 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)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 59613404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).