ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate

C18H22N4O3 — CID 34000915

IUPACethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc(N3CCOCC3)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(23)15-3-4-16(21-13-15)20-12-14-5-6-19-17(11-14)22-7-9-24-10-8-22/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,21)
InChIKeyBWISSGFIXORZBZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.10
Rot. Bonds6

About ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate

ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate (PubChem CID 34000915) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate
PubChem CID34000915
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc(N3CCOCC3)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-2-25-18(23)15-3-4-16(21-13-15)20-12-14-5-6-19-17(11-14)22-7-9-24-10-8-22/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,21)
InChIKeyBWISSGFIXORZBZ-UHFFFAOYSA-N
XLogP2.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate (CID 34000915) is ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccnc(N3CCOCC3)c2)nc1.
What is the InChIKey of ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate?
The InChIKey is BWISSGFIXORZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-25-18(23)15-3-4-16(21-13-15)20-12-14-5-6-19-17(11-14)22-7-9-24-10-8-22/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,21).
What are the key properties of ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 34000915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).