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

C17H19N7O3 — CID 59613490

IUPACmethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
InChIKeyPHPWNBVMNTWSJB-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.67
Rot. Bonds6

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

methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate (PubChem CID 59613490) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate
PubChem CID59613490
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Namemethyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1
InChIInChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
InChIKeyPHPWNBVMNTWSJB-UHFFFAOYSA-N
XLogP0.67
TPSA134.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate (CID 59613490) is methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate is COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CNCCO1.
What is the InChIKey of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is PHPWNBVMNTWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24).
What are the key properties of methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate?
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 369.39 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 59613490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).