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

C19H23N7O2 — CID 42610237

IUPACmethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCCC1CCNCC1
InChIInChI=1S/C19H23N7O2/c1-28-19(27)15-11-25-17(26-18-12-23-14(9-20)10-24-18)8-16(15)22-7-4-13-2-5-21-6-3-13/h8,10-13,21H,2-7H2,1H3,(H2,22,24,25,26)
InChIKeyKMQKUYZPKPAMNR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.08
Rot. Bonds7

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

methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate (PubChem CID 42610237) 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-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate
PubChem CID42610237
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCCC1CCNCC1
InChIInChI=1S/C19H23N7O2/c1-28-19(27)15-11-25-17(26-18-12-23-14(9-20)10-24-18)8-16(15)22-7-4-13-2-5-21-6-3-13/h8,10-13,21H,2-7H2,1H3,(H2,22,24,25,26)
InChIKeyKMQKUYZPKPAMNR-UHFFFAOYSA-N
XLogP2.08
TPSA124.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
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-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate (CID 42610237) is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate is COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCCC1CCNCC1.
What is the InChIKey of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate?
The InChIKey is KMQKUYZPKPAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-28-19(27)15-11-25-17(26-18-12-23-14(9-20)10-24-18)8-16(15)22-7-4-13-2-5-21-6-3-13/h8,10-13,21H,2-7H2,1H3,(H2,22,24,25,26).
What are the key properties of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate?
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 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-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 42610237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).