tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate

C26H30N6O3 — CID 146346866

IUPACtert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)cn1
InChIInChI=1S/C26H30N6O3/c1-17-7-12-20(14-28-17)29-24(33)31-23-16-27-15-21(30-23)18-8-10-19(11-9-18)22-6-5-13-32(22)25(34)35-26(2,3)4/h7-12,14-16,22H,5-6,13H2,1-4H3,(H2,29,30,31,33)
InChIKeyCJSISIALTVODCH-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.56
Rot. Bonds4

About tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate

tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate (PubChem CID 146346866) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
PubChem CID146346866
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Nametert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)cn1
InChIInChI=1S/C26H30N6O3/c1-17-7-12-20(14-28-17)29-24(33)31-23-16-27-15-21(30-23)18-8-10-19(11-9-18)22-6-5-13-32(22)25(34)35-26(2,3)4/h7-12,14-16,22H,5-6,13H2,1-4H3,(H2,29,30,31,33)
InChIKeyCJSISIALTVODCH-UHFFFAOYSA-N
XLogP5.56
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate
CID 146346979
1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146346895
4-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124941221
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540161
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
2-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124964523
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817
tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
CID 170590736

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate (CID 146346866) is tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)n2)cn1.
What is the InChIKey of tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The InChIKey is CJSISIALTVODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-17-7-12-20(14-28-17)29-24(33)31-23-16-27-15-21(30-23)18-8-10-19(11-9-18)22-6-5-13-32(22)25(34)35-26(2,3)4/h7-12,14-16,22H,5-6,13H2,1-4H3,(H2,29,30,31,33).
What are the key properties of tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate has a molecular weight of 474.57 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146346866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).