5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

C19H22N4O2S — CID 91912202

IUPAC5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2sccc2C)cn1
InChIInChI=1S/C19H22N4O2S/c1-11-5-6-26-17(11)19(25)23-14-3-4-15(23)8-13(7-14)22-18(24)16-10-20-12(2)9-21-16/h5-6,9-10,13-15H,3-4,7-8H2,1-2H3,(H,22,24)/t13?,14-,15+
InChIKeyLRKJOPMNBUBATK-GOOCMWNKSA-N
MW370.48 g/mol
LogP2.72
Rot. Bonds3

About 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (PubChem CID 91912202) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
PubChem CID91912202
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2sccc2C)cn1
InChIInChI=1S/C19H22N4O2S/c1-11-5-6-26-17(11)19(25)23-14-3-4-15(23)8-13(7-14)22-18(24)16-10-20-12(2)9-21-16/h5-6,9-10,13-15H,3-4,7-8H2,1-2H3,(H,22,24)/t13?,14-,15+
InChIKeyLRKJOPMNBUBATK-GOOCMWNKSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (CID 91912202) is 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2sccc2C)cn1.
What is the InChIKey of 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The InChIKey is LRKJOPMNBUBATK-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-5-6-26-17(11)19(25)23-14-3-4-15(23)8-13(7-14)22-18(24)16-10-20-12(2)9-21-16/h5-6,9-10,13-15H,3-4,7-8H2,1-2H3,(H,22,24)/t13?,14-,15+.
What are the key properties of 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S,5R)-8-(3-methylthiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).