tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate

C26H30N6O4 — CID 146346979

IUPACtert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)cc3)n2)cn1
InChIInChI=1S/C26H30N6O4/c1-17-5-10-20(13-28-17)29-24(33)31-23-15-27-14-21(30-23)18-6-8-19(9-7-18)22-16-35-12-11-32(22)25(34)36-26(2,3)4/h5-10,13-15,22H,11-12,16H2,1-4H3,(H2,29,30,31,33)
InChIKeyDGFVGKABTNQNRF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.80
Rot. Bonds4

About tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate

tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate (PubChem CID 146346979) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate
PubChem CID146346979
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Nametert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)cc3)n2)cn1
InChIInChI=1S/C26H30N6O4/c1-17-5-10-20(13-28-17)29-24(33)31-23-15-27-14-21(30-23)18-6-8-19(9-7-18)22-16-35-12-11-32(22)25(34)36-26(2,3)4/h5-10,13-15,22H,11-12,16H2,1-4H3,(H2,29,30,31,33)
InChIKeyDGFVGKABTNQNRF-UHFFFAOYSA-N
XLogP4.80
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate (CID 146346979) is tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(C4COCCN4C(=O)OC(C)(C)C)cc3)n2)cn1.
What is the InChIKey of tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate?
The InChIKey is DGFVGKABTNQNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-17-5-10-20(13-28-17)29-24(33)31-23-15-27-14-21(30-23)18-6-8-19(9-7-18)22-16-35-12-11-32(22)25(34)36-26(2,3)4/h5-10,13-15,22H,11-12,16H2,1-4H3,(H2,29,30,31,33).
What are the key properties of tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate?
tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate is sourced from PubChem (CID 146346979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).