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

C19H22N4O2S — CID 91912214

IUPAC5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cn1
InChIInChI=1S/C19H22N4O2S/c1-12-9-21-17(10-20-12)19(25)22-14-7-15-2-3-16(8-14)23(15)18(24)6-13-4-5-26-11-13/h4-5,9-11,14-16H,2-3,6-8H2,1H3,(H,22,25)/t14?,15-,16+
InChIKeyDLSTUVZAJDMGQM-MQVJKMGUSA-N
MW370.48 g/mol
LogP2.34
Rot. Bonds4

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

5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (PubChem CID 91912214) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
PubChem CID91912214
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cn1
InChIInChI=1S/C19H22N4O2S/c1-12-9-21-17(10-20-12)19(25)22-14-7-15-2-3-16(8-14)23(15)18(24)6-13-4-5-26-11-13/h4-5,9-11,14-16H,2-3,6-8H2,1H3,(H,22,25)/t14?,15-,16+
InChIKeyDLSTUVZAJDMGQM-MQVJKMGUSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (CID 91912214) is 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)cn1.
What is the InChIKey of 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The InChIKey is DLSTUVZAJDMGQM-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-9-21-17(10-20-12)19(25)22-14-7-15-2-3-16(8-14)23(15)18(24)6-13-4-5-26-11-13/h4-5,9-11,14-16H,2-3,6-8H2,1H3,(H,22,25)/t14?,15-,16+.
What are the key properties of 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,5S)-8-(2-thiophen-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91912214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).