N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide

C16H16N4O3 — CID 98767190

IUPACN-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)c2ccco2)C3)cn1
InChIInChI=1S/C16H16N4O3/c1-10-6-18-12(7-17-10)14(21)19-16-5-11(16)8-20(9-16)15(22)13-3-2-4-23-13/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,21)/t11-,16+/m0/s1
InChIKeyWTCFLWLDIKFEIX-MEDUHNTESA-N
MW312.33 g/mol
LogP1.02
Rot. Bonds3

About N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide

N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 98767190) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide
PubChem CID98767190
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)c2ccco2)C3)cn1
InChIInChI=1S/C16H16N4O3/c1-10-6-18-12(7-17-10)14(21)19-16-5-11(16)8-20(9-16)15(22)13-3-2-4-23-13/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,21)/t11-,16+/m0/s1
InChIKeyWTCFLWLDIKFEIX-MEDUHNTESA-N
XLogP1.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide
CID 118738955
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[1-[(6-ethoxypyrimidin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-(furan-2-yl)methanone
CID 167770101
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
formic acid;methyl 5-[[(3S,5R)-5-fluoro-1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]pyrazine-2-carboxylate
CID 171330001
5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylpyrazine-2-carboxamide
CID 109286555
2-(furan-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741205
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide (CID 98767190) is N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@]23C[C@H]2CN(C(=O)c2ccco2)C3)cn1.
What is the InChIKey of N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is WTCFLWLDIKFEIX-MEDUHNTESA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-6-18-12(7-17-10)14(21)19-16-5-11(16)8-20(9-16)15(22)13-3-2-4-23-13/h2-4,6-7,11H,5,8-9H2,1H3,(H,19,21)/t11-,16+/m0/s1.
What are the key properties of N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide?
N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-3-(furan-2-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 98767190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).