N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide

C17H21N5O2 — CID 156721805

IUPACN-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c2c(nn1-c1cnccn1)CC1CCC2O1
InChIInChI=1S/C17H21N5O2/c1-17(2,3)20-16(23)15-14-11(8-10-4-5-12(14)24-10)21-22(15)13-9-18-6-7-19-13/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,20,23)
InChIKeyMONALPJXLGOEDL-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.97
Rot. Bonds2

About N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide

N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide (PubChem CID 156721805) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide
PubChem CID156721805
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c2c(nn1-c1cnccn1)CC1CCC2O1
InChIInChI=1S/C17H21N5O2/c1-17(2,3)20-16(23)15-14-11(8-10-4-5-12(14)24-10)21-22(15)13-9-18-6-7-19-13/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,20,23)
InChIKeyMONALPJXLGOEDL-UHFFFAOYSA-N
XLogP1.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrazin-2-yl-N-[1-(trifluoromethyl)cyclobutyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 156248679
N-(1-bicyclo[1.1.1]pentanyl)-3-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 164609298
N-(1-bicyclo[2.2.2]octanyl)-3-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 164611580
(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 164620714
(1R,8S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 164620733
3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 164625379
N-tert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-5-carboxamide
CID 164616192
N-tert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide
CID 164621352
3-(4-oxidopyrazin-4-ium-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 156248152
3-pyrazin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 156248176
3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 171406210
3-(4-oxidopyrazin-4-ium-2-yl)-N-[1-(trifluoromethyl)cyclobutyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 171406218

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide?
The IUPAC name of N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide (CID 156721805) is N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide is CC(C)(C)NC(=O)c1c2c(nn1-c1cnccn1)CC1CCC2O1.
What is the InChIKey of N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide?
The InChIKey is MONALPJXLGOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-17(2,3)20-16(23)15-14-11(8-10-4-5-12(14)24-10)21-22(15)13-9-18-6-7-19-13/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,20,23).
What are the key properties of N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide?
N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pyrazin-2-yl-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide is sourced from PubChem (CID 156721805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).